ethyl 4-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]butanoate

Systemtic Name: ethyl 4-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]butanoate Openeye Name: ethyl 4-(N-[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)butanoate CAS Name: 4-(N-[[2-[(4-cyanophenyl)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)butanoic acid ethyl ester IUPAC Name: ethyl 4-(N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)butanoate Traditional Name: 4-(N-[2-(4-cyanobenzyl)-1-methyl-benzimidazole-5-carbonyl]anilino)butyric acid ethyl ester Formula: C29H28N4O3 MolecularWeight: 480.55762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CCOC(=O)CCCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C29H28N4O3/c1-3-36-28(34)10-7-17-33(24-8-5-4-6-9-24)29(35)23-15-16-26-25(19-23)31-27(32(26)2)18-21-11-13-22(20-30)14-12-21/h4-6,8-9,11-16,19H,3,7,10,17-18H2,1-2H3