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

Systemtic Name: ethyl 4-[2-[1-(2-chloranyl-6-piperidin-1-yl-phenyl)butylamino]-2-oxidanylidene-ethyl]-2-ethoxy-benzoate Openeye Name: ethyl 4-[2-[1-[2-chloro-6-(1-piperidyl)phenyl]butylamino]-2-oxo-ethyl]-2-ethoxy-benzoate CAS Name: 4-[2-[1-[2-chloro-6-(1-piperidinyl)phenyl]butylamino]-2-oxoethyl]-2-ethoxybenzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-(2-chloro-6-piperidin-1-ylphenyl)butylamino]-2-oxoethyl]-2-ethoxybenzoate Traditional Name: 4-[2-[1-(2-chloro-6-piperidino-phenyl)butylamino]-2-keto-ethyl]-2-ethoxy-benzoic acid ethyl ester Formula: C28H37ClN2O4 MolecularWeight: 501.05738

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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)OCC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C28H37ClN2O4/c1-4-11-23(27-22(29)12-10-13-24(27)31-16-8-7-9-17-31)30-26(32)19-20-14-15-21(28(33)35-6-3)25(18-20)34-5-2/h10,12-15,18,23H,4-9,11,16-17,19H2,1-3H3,(H,30,32)