ethyl 3-[[2-[[(4-cyano-2-methoxy-phenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]propanoate

Systemtic Name: ethyl 3-[[2-[[(4-cyano-2-methoxy-phenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]propanoate Openeye Name: ethyl 3-(N-[2-[(4-cyano-2-methoxy-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)propanoate CAS Name: 3-(N-[[2-[(4-cyano-2-methoxyanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(N-[2-[(4-cyano-2-methoxyanilino)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)propanoate Traditional Name: 3-(N-[2-[(4-cyano-2-methoxy-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)propionic acid ethyl ester Formula: C29H29N5O4 MolecularWeight: 511.57166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=C(C=C(C=C4)C#N)OC)C

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=C(C=C(C=C4)C#N)OC)C

InChI

InChI=1S/C29H29N5O4/c1-4-38-28(35)14-15-34(22-8-6-5-7-9-22)29(36)21-11-13-25-24(17-21)32-27(33(25)2)19-31-23-12-10-20(18-30)16-26(23)37-3/h5-13,16-17,31H,4,14-15,19H2,1-3H3