4-chloranyl-2-[[6-oxidanylidene-1-(phenylmethyl)piperidin-2-yl]carbonylamino]benzoic acid

Systemtic Name: 4-chloranyl-2-[[6-oxidanylidene-1-(phenylmethyl)piperidin-2-yl]carbonylamino]benzoic acid Openeye Name: 2-[(1-benzyl-6-oxo-piperidine-2-carbonyl)amino]-4-chloro-benzoic acid CAS Name: 4-chloro-2-[[oxo-[6-oxo-1-(phenylmethyl)-2-piperidinyl]methyl]amino]benzoic acid IUPAC Name: 2-[(1-benzyl-6-oxopiperidine-2-carbonyl)amino]-4-chlorobenzoic acid Traditional Name: 2-[(1-benzyl-6-keto-pipecoloyl)amino]-4-chloro-benzoic acid Formula: C20H19ClN2O4 MolecularWeight: 386.82886

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C(=O)C1)CC2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)O

Isomeric SMILES

C1CC(N(C(=O)C1)CC2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)O

InChI

InChI=1S/C20H19ClN2O4/c21-14-9-10-15(20(26)27)16(11-14)22-19(25)17-7-4-8-18(24)23(17)12-13-5-2-1-3-6-13/h1-3,5-6,9-11,17H,4,7-8,12H2,(H,22,25)(H,26,27)