[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-benzamidoethanoate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-benzamidoethanoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-benzamidoacetate CAS Name: 2-benzamidoacetic 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-benzamidoacetate Traditional Name: 2-benzamidoacetic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4/c1-4-10-22-14(2)11-17(15(22)3)18(23)13-26-19(24)12-21-20(25)16-8-6-5-7-9-16/h4-9,11H,1,10,12-13H2,2-3H3,(H,21,25)