4-[1-azanyl-3-(5-chloranyl-2-piperidin-1-yl-phenyl)-1-oxidanylidene-propan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-3-(5-chloranyl-2-piperidin-1-yl-phenyl)-1-oxidanylidene-propan-2-yl]benzoic acid Openeye Name: 4-[2-amino-1-[[5-chloro-2-(1-piperidyl)phenyl]methyl]-2-oxo-ethyl]benzoic acid CAS Name: 4-[1-amino-3-[5-chloro-2-(1-piperidinyl)phenyl]-1-oxopropan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-(5-chloro-2-piperidin-1-ylphenyl)-1-oxopropan-2-yl]benzoic acid Traditional Name: 4-[2-amino-1-(5-chloro-2-piperidino-benzyl)-2-keto-ethyl]benzoic acid Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O3/c22-17-8-9-19(24-10-2-1-3-11-24)16(12-17)13-18(20(23)25)14-4-6-15(7-5-14)21(26)27/h4-9,12,18H,1-3,10-11,13H2,(H2,23,25)(H,26,27)