ethyl 2-[1-[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]carbonylcyclohexyl]ethanoate

Systemtic Name: ethyl 2-[1-[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]carbonylcyclohexyl]ethanoate Openeye Name: ethyl 2-[1-[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazole-5-carbonyl]cyclohexyl]acetate CAS Name: 2-[1-[[2-[(4-cyanophenyl)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]cyclohexyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazole-5-carbonyl]cyclohexyl]acetate Traditional Name: 2-[1-[2-(4-cyanobenzyl)-1-methyl-benzimidazole-5-carbonyl]cyclohexyl]acetic acid ethyl ester Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(CCCCC1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CCOC(=O)CC1(CCCCC1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C27H29N3O3/c1-3-33-25(31)17-27(13-5-4-6-14-27)26(32)21-11-12-23-22(16-21)29-24(30(23)2)15-19-7-9-20(18-28)10-8-19/h7-12,16H,3-6,13-15,17H2,1-2H3