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

Systemtic Name: ethyl 4-[2-[1-(2-methyl-6-piperidin-1-yl-phenyl)butylamino]-2-oxidanylidene-ethyl]benzoate Openeye Name: ethyl 4-[2-[1-[2-methyl-6-(1-piperidyl)phenyl]butylamino]-2-oxo-ethyl]benzoate CAS Name: 4-[2-[1-[2-methyl-6-(1-piperidinyl)phenyl]butylamino]-2-oxoethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-(2-methyl-6-piperidin-1-ylphenyl)butylamino]-2-oxoethyl]benzoate Traditional Name: 4-[2-keto-2-[1-(2-methyl-6-piperidino-phenyl)butylamino]ethyl]benzoic acid ethyl ester Formula: C27H36N2O3 MolecularWeight: 436.58634

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=CC=C1N2CCCCC2)C)NC(=O)CC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCC(C1=C(C=CC=C1N2CCCCC2)C)NC(=O)CC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C27H36N2O3/c1-4-10-23(26-20(3)11-9-12-24(26)29-17-7-6-8-18-29)28-25(30)19-21-13-15-22(16-14-21)27(31)32-5-2/h9,11-16,23H,4-8,10,17-19H2,1-3H3,(H,28,30)