4-[1-azanyl-3-(2-chloranyl-6-piperidin-1-yl-phenyl)-1-oxidanylidene-hexan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-3-(2-chloranyl-6-piperidin-1-yl-phenyl)-1-oxidanylidene-hexan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[2-chloro-6-(1-piperidyl)phenyl]pentyl]benzoic acid CAS Name: 4-[1-amino-3-[2-chloro-6-(1-piperidinyl)phenyl]-1-oxohexan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-(2-chloro-6-piperidin-1-ylphenyl)-1-oxohexan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-(2-chloro-6-piperidino-phenyl)pentyl]benzoic acid Formula: C24H29ClN2O3 MolecularWeight: 428.95166

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=CC=C1Cl)N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

CCCC(C1=C(C=CC=C1Cl)N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C24H29ClN2O3/c1-2-7-18(21(23(26)28)16-10-12-17(13-11-16)24(29)30)22-19(25)8-6-9-20(22)27-14-4-3-5-15-27/h6,8-13,18,21H,2-5,7,14-15H2,1H3,(H2,26,28)(H,29,30)