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

Systemtic Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(3,5-dimethoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate CAS Name: 2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]acetic acid [2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate Traditional Name: 2-[(3,5-dimethoxybenzoyl)amino]acetic acid [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)COC(=O)CNC(=O)C2=CC(=CC(=C2)OC)OC)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)COC(=O)CNC(=O)C2=CC(=CC(=C2)OC)OC)C

InChI

InChI=1S/C21H26N2O6/c1-6-23-13(2)7-18(14(23)3)19(24)12-29-20(25)11-22-21(26)15-8-16(27-4)10-17(9-15)28-5/h7-10H,6,11-12H2,1-5H3,(H,22,26)