[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3,4-dimethoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3,4-dimethoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]acetic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate Traditional Name: 2-(veratroylamino)acetic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C20H21BrN2O6 MolecularWeight: 465.29454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)OC)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)OC)OC)Br

InChI

InChI=1S/C20H21BrN2O6/c1-12-8-14(5-6-15(12)21)23-18(24)11-29-19(25)10-22-20(26)13-4-7-16(27-2)17(9-13)28-3/h4-9H,10-11H2,1-3H3,(H,22,26)(H,23,24)