ethyl 3-[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-phenyl-amino]propanoate

Systemtic Name: ethyl 3-[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-phenyl-amino]propanoate Openeye Name: ethyl 3-(N-[2-[(4-cyanoanilino)methyl]-1-methyl-benzimidazol-5-yl]oxycarbonylanilino)propanoate CAS Name: 3-(N-[[2-[(4-cyanoanilino)methyl]-1-methyl-5-benzimidazolyl]oxy-oxomethyl]anilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(N-[2-[(4-cyanoanilino)methyl]-1-methylbenzimidazol-5-yl]oxycarbonylanilino)propanoate Traditional Name: 3-(N-[2-[(4-cyanoanilino)methyl]-1-methyl-benzimidazol-5-yl]oxycarbonylanilino)propionic acid ethyl ester Formula: C28H27N5O4 MolecularWeight: 497.54508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)OC2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)OC2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C28H27N5O4/c1-3-36-27(34)15-16-33(22-7-5-4-6-8-22)28(35)37-23-13-14-25-24(17-23)31-26(32(25)2)19-30-21-11-9-20(18-29)10-12-21/h4-14,17,30H,3,15-16,19H2,1-2H3