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

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-[(3,4-dimethoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]acetic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 2-[(3,4-dimethoxybenzoyl)amino]acetate Traditional Name: 2-(veratroylamino)acetic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H27N3O6 MolecularWeight: 405.44488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)CNC(=O)C1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)CNC(=O)C1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C20H27N3O6/c1-12(2)20(4,11-21)23-18(25)13(3)29-17(24)10-22-19(26)14-7-8-15(27-5)16(9-14)28-6/h7-9,12-13H,10H2,1-6H3,(H,22,26)(H,23,25)