[1-[(2-methylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(2-methylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Openeye Name: 1-(o-tolylcarbamoyl)propyl 2-phenyl-3H-benzimidazole-5-carboxylate CAS Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid [1-(2-methylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2-methylanilino)-1-oxobutan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Traditional Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid 1-(o-tolylcarbamoyl)propyl ester Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O3/c1-3-22(24(29)28-19-12-8-7-9-16(19)2)31-25(30)18-13-14-20-21(15-18)27-23(26-20)17-10-5-4-6-11-17/h4-15,22H,3H2,1-2H3,(H,26,27)(H,28,29)