[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-phenylimidazole-4-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-phenylimidazole-4-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 3-phenylimidazole-4-carboxylate CAS Name: 3-phenyl-4-imidazolecarboxylic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-phenylimidazole-4-carboxylate Traditional Name: 3-phenylimidazole-4-carboxylic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CN=CN2C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CN=CN2C3=CC=CC=C3)OC

InChI

InChI=1S/C21H21N3O5/c1-27-18-9-8-15(10-19(18)28-2)11-23-20(25)13-29-21(26)17-12-22-14-24(17)16-6-4-3-5-7-16/h3-10,12,14H,11,13H2,1-2H3,(H,23,25)