[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(3,4-dimethoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(3,4-dimethoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]acetic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate Traditional Name: 2-(veratroylamino)acetic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H26N2O6/c1-6-9-24-14(2)10-17(15(24)3)18(25)13-30-21(26)12-23-22(27)16-7-8-19(28-4)20(11-16)29-5/h6-8,10-11H,1,9,12-13H2,2-5H3,(H,23,27)