4-[2-[1-(2-chloranyl-6-piperidin-1-yl-phenyl)butylamino]-2-oxidanylidene-ethyl]-2-ethoxy-benzoic acid

Systemtic Name: 4-[2-[1-(2-chloranyl-6-piperidin-1-yl-phenyl)butylamino]-2-oxidanylidene-ethyl]-2-ethoxy-benzoic acid Openeye Name: 4-[2-[1-[2-chloro-6-(1-piperidyl)phenyl]butylamino]-2-oxo-ethyl]-2-ethoxy-benzoic acid CAS Name: 4-[2-[1-[2-chloro-6-(1-piperidinyl)phenyl]butylamino]-2-oxoethyl]-2-ethoxybenzoic acid IUPAC Name: 4-[2-[1-(2-chloro-6-piperidin-1-ylphenyl)butylamino]-2-oxoethyl]-2-ethoxybenzoic acid Traditional Name: 4-[2-[1-(2-chloro-6-piperidino-phenyl)butylamino]-2-keto-ethyl]-2-ethoxy-benzoic acid Formula: C26H33ClN2O4 MolecularWeight: 473.00422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=CC=C1Cl)N2CCCCC2)NC(=O)CC3=CC(=C(C=C3)C(=O)O)OCC

Isomeric SMILES

CCCC(C1=C(C=CC=C1Cl)N2CCCCC2)NC(=O)CC3=CC(=C(C=C3)C(=O)O)OCC

InChI

InChI=1S/C26H33ClN2O4/c1-3-9-21(25-20(27)10-8-11-22(25)29-14-6-5-7-15-29)28-24(30)17-18-12-13-19(26(31)32)23(16-18)33-4-2/h8,10-13,16,21H,3-7,9,14-15,17H2,1-2H3,(H,28,30)(H,31,32)