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

Systemtic Name: 4-[1-azanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)hexan-2-yl]-3-chloranyl-benzoic acid Openeye Name: 4-[1-carbamoyl-2-[2-(1-piperidyl)phenyl]pentyl]-3-chloro-benzoic acid CAS Name: 4-[1-amino-1-oxo-3-[2-(1-piperidinyl)phenyl]hexan-2-yl]-3-chlorobenzoic acid IUPAC Name: 4-[1-amino-1-oxo-3-(2-piperidin-1-ylphenyl)hexan-2-yl]-3-chlorobenzoic acid Traditional Name: 4-[1-carbamoyl-2-(2-piperidinophenyl)pentyl]-3-chloro-benzoic acid Formula: C24H29ClN2O3 MolecularWeight: 428.95166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN2O3/c1-2-8-18(17-9-4-5-10-21(17)27-13-6-3-7-14-27)22(23(26)28)19-12-11-16(24(29)30)15-20(19)25/h4-5,9-12,15,18,22H,2-3,6-8,13-14H2,1H3,(H2,26,28)(H,29,30)