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

Systemtic Name: ethyl 2-[2-[[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]ethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-(N-[2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)acetyl]amino]acetate CAS Name: 2-[[2-(N-[[2-[(4-cyanophenyl)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)acetyl]amino]acetate Traditional Name: 2-[[2-(N-[2-(4-cyanobenzyl)-1-methyl-benzimidazole-5-carbonyl]anilino)acetyl]amino]acetic acid ethyl ester Formula: C29H27N5O4 MolecularWeight: 509.55578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CN(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)CNC(=O)CN(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/C29H27N5O4/c1-3-38-28(36)18-31-27(35)19-34(23-7-5-4-6-8-23)29(37)22-13-14-25-24(16-22)32-26(33(25)2)15-20-9-11-21(17-30)12-10-20/h4-14,16H,3,15,18-19H2,1-2H3,(H,31,35)