[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-phenylimidazole-4-carboxylate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-phenylimidazole-4-carboxylate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-phenylimidazole-4-carboxylate CAS Name: 3-phenyl-4-imidazolecarboxylic 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] 3-phenylimidazole-4-carboxylate Traditional Name: 3-phenylimidazole-4-carboxylic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CN=CN2C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)C2=CN=CN2C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-4-10-23-15(2)11-18(16(23)3)20(25)13-27-21(26)19-12-22-14-24(19)17-8-6-5-7-9-17/h4-9,11-12,14H,1,10,13H2,2-3H3