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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=CC=C1)Cl)N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

CC(C1=C(C(=CC=C1)Cl)N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C22H25ClN2O3/c1-14(19(21(24)26)15-8-10-16(11-9-15)22(27)28)17-6-5-7-18(23)20(17)25-12-3-2-4-13-25/h5-11,14,19H,2-4,12-13H2,1H3,(H2,24,26)(H,27,28)