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

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3,4-dimethoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]acetic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-[(3,4-dimethoxybenzoyl)amino]acetate Traditional Name: 2-(veratroylamino)acetic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6/c1-13(20(26)24-16-6-4-5-14(9-16)11-22)30-19(25)12-23-21(27)15-7-8-17(28-2)18(10-15)29-3/h4-10,13H,12H2,1-3H3,(H,23,27)(H,24,26)