Name: Name:Benzeneacetic acid, α-cyclohexyl-α-hydroxy-, 4-(ethylamino)-2-butyn-1-yl ester, hydrochloride (1:1), (αS)-
Brand: Angene
SKU: AG0022ZU
Rating: 90 (10 reviews)

Benzeneacetic acid, α-cyclohexyl-α-hydroxy-, 4-(ethylamino)-2-butyn-1-yl ester, hydrochloride (1:1), (αS)-

CAS No.:

181647-14-3

Catalog Number:

AG0022ZU

Molecular Formula:

C20H28ClNO3

Molecular Weight:

365.8942

Catalog Number:

AG0022ZU

Chemical Name:

Benzeneacetic acid, α-cyclohexyl-α-hydroxy-, 4-(ethylamino)-2-butyn-1-yl ester, hydrochloride (1:1), (αS)-

CAS Number:

181647-14-3

Molecular Formula:

C20H28ClNO3

Molecular Weight:

365.8942

MDL Number:

MFCD08063686

IUPAC Name:

4-(ethylamino)but-2-ynyl (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetate;hydrochloride

InChI:

InChI=1S/C20H27NO3.ClH/c1-2-21-15-9-10-16-24-19(22)20(23,17-11-5-3-6-12-17)18-13-7-4-8-14-18;/h3,5-6,11-12,18,21,23H,2,4,7-8,13-16H2,1H3;1H/t20-;/m1./s1

InChI Key:

DSWCYTSHCYXHGW-VEIFNGETSA-N

SMILES:

CCNCC#CCOC(=O)[C@@](c1ccccc1)(C1CCCCC1)O.Cl

Complexity:

452

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

365.176g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

365.898g/mol

Monoisotopic Mass:

365.176g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: