methyl 2-[1-butyl-3-(3-methylbut-2-enyl)-2-oxidanylidene-benzimidazol-5-yl]-1-(2-methylpropyl)benzimidazole-5-carboxylate

Systemtic Name: methyl 2-[1-butyl-3-(3-methylbut-2-enyl)-2-oxidanylidene-benzimidazol-5-yl]-1-(2-methylpropyl)benzimidazole-5-carboxylate Openeye Name: methyl 2-[1-butyl-3-(3-methylbut-2-enyl)-2-oxo-benzimidazol-5-yl]-1-isobutyl-benzimidazole-5-carboxylate CAS Name: 2-[1-butyl-3-(3-methylbut-2-enyl)-2-oxo-5-benzimidazolyl]-1-(2-methylpropyl)-5-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-butyl-3-(3-methylbut-2-enyl)-2-oxobenzimidazol-5-yl]-1-(2-methylpropyl)benzimidazole-5-carboxylate Traditional Name: 2-[1-butyl-2-keto-3-(3-methylbut-2-enyl)benzimidazol-5-yl]-1-isobutyl-benzimidazole-5-carboxylic acid methyl ester Formula: C29H36N4O3 MolecularWeight: 488.62114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C3=NC4=C(N3CC(C)C)C=CC(=C4)C(=O)OC)N(C1=O)CC=C(C)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C3=NC4=C(N3CC(C)C)C=CC(=C4)C(=O)OC)N(C1=O)CC=C(C)C

InChI

InChI=1S/C29H36N4O3/c1-7-8-14-31-25-12-9-21(17-26(25)32(29(31)35)15-13-19(2)3)27-30-23-16-22(28(34)36-6)10-11-24(23)33(27)18-20(4)5/h9-13,16-17,20H,7-8,14-15,18H2,1-6H3