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

Systemtic Name: 4-[1-azanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)propan-2-yl]benzoic acid Openeye Name: 4-[2-amino-2-oxo-1-[[2-(1-piperidyl)phenyl]methyl]ethyl]benzoic acid CAS Name: 4-[1-amino-1-oxo-3-[2-(1-piperidinyl)phenyl]propan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-1-oxo-3-(2-piperidin-1-ylphenyl)propan-2-yl]benzoic acid Traditional Name: 4-[2-amino-2-keto-1-(2-piperidinobenzyl)ethyl]benzoic acid Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=CC=C2CC(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

C1CCN(CC1)C2=CC=CC=C2CC(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C21H24N2O3/c22-20(24)18(15-8-10-16(11-9-15)21(25)26)14-17-6-2-3-7-19(17)23-12-4-1-5-13-23/h2-3,6-11,18H,1,4-5,12-14H2,(H2,22,24)(H,25,26)