4-[2-[2-(5-chloranyl-2-piperidin-1-yl-phenyl)propan-2-ylamino]-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 4-[2-[2-(5-chloranyl-2-piperidin-1-yl-phenyl)propan-2-ylamino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 4-[2-[[1-[5-chloro-2-(1-piperidyl)phenyl]-1-methyl-ethyl]amino]-2-oxo-ethyl]benzoic acid CAS Name: 4-[2-[2-[5-chloro-2-(1-piperidinyl)phenyl]propan-2-ylamino]-2-oxoethyl]benzoic acid IUPAC Name: 4-[2-[2-(5-chloro-2-piperidin-1-ylphenyl)propan-2-ylamino]-2-oxoethyl]benzoic acid Traditional Name: 4-[2-[[1-(5-chloro-2-piperidino-phenyl)-1-methyl-ethyl]amino]-2-keto-ethyl]benzoic acid Formula: C23H27ClN2O3 MolecularWeight: 414.92508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=C(C=CC(=C1)Cl)N2CCCCC2)NC(=O)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)(C1=C(C=CC(=C1)Cl)N2CCCCC2)NC(=O)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H27ClN2O3/c1-23(2,25-21(27)14-16-6-8-17(9-7-16)22(28)29)19-15-18(24)10-11-20(19)26-12-4-3-5-13-26/h6-11,15H,3-5,12-14H2,1-2H3,(H,25,27)(H,28,29)