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2-[(4-phenylazepan-1-yl)carbonylamino]benzoic acid

2-[(4-phenylazepan-1-yl)carbonylamino]benzoic acid

Systemtic Name:2-[(4-phenylazepan-1-yl)carbonylamino]benzoic acid
Openeye Name:2-[(4-phenylazepane-1-carbonyl)amino]benzoic acid
CAS Name:2-[[oxo-(4-phenyl-1-azepanyl)methyl]amino]benzoic acid
IUPAC Name:2-[(4-phenylazepane-1-carbonyl)amino]benzoic acid
Traditional Name:2-[(4-phenylazepane-1-carbonyl)amino]benzoic acid
Formula: C20H22N2O3
MolecularWeight: 338.40028
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C(=O)NC2=CC=CC=C2C(=O)O)C3=CC=CC=C3


Isomeric SMILES

C1CC(CCN(C1)C(=O)NC2=CC=CC=C2C(=O)O)C3=CC=CC=C3


InChI

InChI=1S/C20H22N2O3/c23-19(24)17-10-4-5-11-18(17)21-20(25)22-13-6-9-16(12-14-22)15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,21,25)(H,23,24)


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