Name: Name:2-[(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)methyl]benzoic acid
Brand: Angene
SKU: AG01EL2J
Rating: 90 (10 reviews)

2-[(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)methyl]benzoic acid

CAS No.:

2138133-75-0

Catalog Number:

AG01EL2J

Molecular Formula:

C28H27NO4

Molecular Weight:

441.5183

Catalog Number:

AG01EL2J

Chemical Name:

2-[(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)methyl]benzoic acid

CAS Number:

2138133-75-0

Molecular Formula:

C28H27NO4

Molecular Weight:

441.5183

MDL Number:

MFCD31558856

IUPAC Name:

2-[[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methyl]benzoic acid

InChI:

InChI=1S/C28H27NO4/c30-27(31)21-8-2-1-7-20(21)17-19-13-15-29(16-14-19)28(32)33-18-26-24-11-5-3-9-22(24)23-10-4-6-12-25(23)26/h1-12,19,26H,13-18H2,(H,30,31)

InChI Key:

NTDMAYQMGJESEB-UHFFFAOYSA-N

SMILES:

O=C(N1CCC(CC1)Cc1ccccc1C(=O)O)OCC1c2ccccc2c2c1cccc2

Complexity:

665

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

441.194g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

441.527g/mol

Monoisotopic Mass:

441.194g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.5