ethyl 4-(4-cyanophenyl)-2-[(4-cyanophenyl)methyl-(1-methylbenzimidazol-5-yl)oxycarbonyl-amino]butanoate

Systemtic Name: ethyl 4-(4-cyanophenyl)-2-[(4-cyanophenyl)methyl-(1-methylbenzimidazol-5-yl)oxycarbonyl-amino]butanoate Openeye Name: ethyl 4-(4-cyanophenyl)-2-[(4-cyanophenyl)methyl-(1-methylbenzimidazol-5-yl)oxycarbonyl-amino]butanoate CAS Name: 4-(4-cyanophenyl)-2-[(4-cyanophenyl)methyl-[(1-methyl-5-benzimidazolyl)oxy-oxomethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-(4-cyanophenyl)-2-[(4-cyanophenyl)methyl-(1-methylbenzimidazol-5-yl)oxycarbonylamino]butanoate Traditional Name: 2-[(4-cyanobenzyl)-(1-methylbenzimidazol-5-yl)oxycarbonyl-amino]-4-(4-cyanophenyl)butyric acid ethyl ester Formula: C30H27N5O4 MolecularWeight: 521.56648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=C(C=C1)C#N)N(CC2=CC=C(C=C2)C#N)C(=O)OC3=CC4=C(C=C3)N(C=N4)C

Isomeric SMILES

CCOC(=O)C(CCC1=CC=C(C=C1)C#N)N(CC2=CC=C(C=C2)C#N)C(=O)OC3=CC4=C(C=C3)N(C=N4)C

InChI

InChI=1S/C30H27N5O4/c1-3-38-29(36)28(14-12-21-4-6-22(17-31)7-5-21)35(19-24-10-8-23(18-32)9-11-24)30(37)39-25-13-15-27-26(16-25)33-20-34(27)2/h4-11,13,15-16,20,28H,3,12,14,19H2,1-2H3