[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)benzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)benzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 3-ethoxy-4-[2-oxo-2-(1-piperidyl)ethoxy]benzoate CAS Name: 3-ethoxy-4-[2-oxo-2-(1-piperidinyl)ethoxy]benzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate Traditional Name: 3-ethoxy-4-(2-keto-2-piperidino-ethoxy)benzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C26H29N3O6 MolecularWeight: 479.52496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)OCC(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)OCC(=O)N3CCCCC3

InChI

InChI=1S/C26H29N3O6/c1-2-33-23-17-20(11-12-22(23)34-18-24(30)28-14-7-4-8-15-28)26(32)35-19-25(31)29(16-13-27)21-9-5-3-6-10-21/h3,5-6,9-12,17H,2,4,7-8,14-16,18-19H2,1H3