[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)benzoate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)benzoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-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 [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate Traditional Name: 3-ethoxy-4-(2-keto-2-piperidino-ethoxy)benzoic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C26H29N3O6 MolecularWeight: 479.52496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2C#N)OCC(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2C#N)OCC(=O)N3CCCCC3

InChI

InChI=1S/C26H29N3O6/c1-3-33-23-15-19(11-12-22(23)34-17-24(30)29-13-7-4-8-14-29)26(32)35-18(2)25(31)28-21-10-6-5-9-20(21)16-27/h5-6,9-12,15,18H,3-4,7-8,13-14,17H2,1-2H3,(H,28,31)