Name: Name:1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-4-(1H-indol-3-yl)-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG001NU0
Rating: 90 (10 reviews)

1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-4-(1H-indol-3-yl)-, 1,1-dimethylethyl ester

CAS No.:

155302-27-5

Catalog Number:

AG001NU0

Molecular Formula:

C18H22N2O2

Molecular Weight:

298.3795

Catalog Number:

AG001NU0

Chemical Name:

1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-4-(1H-indol-3-yl)-, 1,1-dimethylethyl ester

CAS Number:

155302-27-5

Molecular Formula:

C18H22N2O2

Molecular Weight:

298.3795

MDL Number:

MFCD08234472

IUPAC Name:

tert-butyl 4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

InChI:

InChI=1S/C18H22N2O2/c1-18(2,3)22-17(21)20-10-8-13(9-11-20)15-12-19-16-7-5-4-6-14(15)16/h4-8,12,19H,9-11H2,1-3H3

InChI Key:

IGPOPAOZUHAGBC-UHFFFAOYSA-N

SMILES:

O=C(N1CCC(=CC1)c1c[nH]c2c1cccc2)OC(C)(C)C

Complexity:

453

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

298.168g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

298.386g/mol

Monoisotopic Mass:

298.168g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1