4-[1-azanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)pentan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)pentan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[2-(1-piperidyl)phenyl]butyl]benzoic acid CAS Name: 4-[1-amino-1-oxo-3-[2-(1-piperidinyl)phenyl]pentan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-1-oxo-3-(2-piperidin-1-ylphenyl)pentan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-(2-piperidinophenyl)butyl]benzoic acid Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

CCC(C1=CC=CC=C1N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C23H28N2O3/c1-2-18(19-8-4-5-9-20(19)25-14-6-3-7-15-25)21(22(24)26)16-10-12-17(13-11-16)23(27)28/h4-5,8-13,18,21H,2-3,6-7,14-15H2,1H3,(H2,24,26)(H,27,28)