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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC=C(C=C1)C(=O)O)C(=O)N)C2=CC=CC=C2N3CCCCC3

Isomeric SMILES

CC(CC(C1=CC=C(C=C1)C(=O)O)C(=O)N)C2=CC=CC=C2N3CCCCC3

InChI

InChI=1S/C23H28N2O3/c1-16(19-7-3-4-8-21(19)25-13-5-2-6-14-25)15-20(22(24)26)17-9-11-18(12-10-17)23(27)28/h3-4,7-12,16,20H,2,5-6,13-15H2,1H3,(H2,24,26)(H,27,28)