[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,4,5-trimethoxyphenyl)ethanoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,4,5-trimethoxyphenyl)ethanoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-(3,4,5-trimethoxyphenyl)acetate CAS Name: 2-(3,4,5-trimethoxyphenyl)acetic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate Traditional Name: 2-(3,4,5-trimethoxyphenyl)acetic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C21H22N2O6/c1-13(21(25)23-16-7-5-6-14(8-16)12-22)29-19(24)11-15-9-17(26-2)20(28-4)18(10-15)27-3/h5-10,13H,11H2,1-4H3,(H,23,25)