methyl 4-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]-cyclopentyl-amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]-cyclopentyl-amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]-cyclopentyl-amino]-4-oxo-butanoate CAS Name: 4-[[2-[(4-cyanophenyl)methyl]-1-methyl-5-benzimidazolyl]-cyclopentylamino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-5-yl]-cyclopentylamino]-4-oxobutanoate Traditional Name: 4-[[2-(4-cyanobenzyl)-1-methyl-benzimidazol-5-yl]-cyclopentyl-amino]-4-keto-butyric acid methyl ester Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(C3CCCC3)C(=O)CCC(=O)OC)N=C1CC4=CC=C(C=C4)C#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(C3CCCC3)C(=O)CCC(=O)OC)N=C1CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H28N4O3/c1-29-23-12-11-21(30(20-5-3-4-6-20)25(31)13-14-26(32)33-2)16-22(23)28-24(29)15-18-7-9-19(17-27)10-8-18/h7-12,16,20H,3-6,13-15H2,1-2H3