[1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(2-ethyl-6-methyl-phenyl)carbamoyl]propyl 2-phenyl-3H-benzimidazole-5-carboxylate CAS Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid [1-(2-ethyl-6-methylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2-ethyl-6-methylanilino)-1-oxobutan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Traditional Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid 1-[(2-ethyl-6-methyl-phenyl)carbamoyl]propyl ester Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(CC)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(CC)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H27N3O3/c1-4-18-13-9-10-17(3)24(18)30-26(31)23(5-2)33-27(32)20-14-15-21-22(16-20)29-25(28-21)19-11-7-6-8-12-19/h6-16,23H,4-5H2,1-3H3,(H,28,29)(H,30,31)