[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate CAS Name: 2-methyl-1-phenyl-5-benzimidazolecarboxylic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate Traditional Name: 2-methyl-1-phenyl-benzimidazole-5-carboxylic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)OCC(=O)NC(=O)NCC=C

Isomeric SMILES

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)OCC(=O)NC(=O)NCC=C

InChI

InChI=1S/C21H20N4O4/c1-3-11-22-21(28)24-19(26)13-29-20(27)15-9-10-18-17(12-15)23-14(2)25(18)16-7-5-4-6-8-16/h3-10,12H,1,11,13H2,2H3,(H2,22,24,26,28)