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

Systemtic Name: 4-[1-azanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)butan-2-yl]-3-chloranyl-benzoic acid Openeye Name: 4-[1-carbamoyl-2-[2-(1-piperidyl)phenyl]propyl]-3-chloro-benzoic acid CAS Name: 4-[1-amino-1-oxo-3-[2-(1-piperidinyl)phenyl]butan-2-yl]-3-chlorobenzoic acid IUPAC Name: 4-[1-amino-1-oxo-3-(2-piperidin-1-ylphenyl)butan-2-yl]-3-chlorobenzoic acid Traditional Name: 4-[1-carbamoyl-2-(2-piperidinophenyl)propyl]-3-chloro-benzoic acid Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O3/c1-14(16-7-3-4-8-19(16)25-11-5-2-6-12-25)20(21(24)26)17-10-9-15(22(27)28)13-18(17)23/h3-4,7-10,13-14,20H,2,5-6,11-12H2,1H3,(H2,24,26)(H,27,28)