methyl 4-[2-(4-cyanophenyl)-5-[(3-methoxy-3-oxidanylidene-propyl)carbamoyl]benzimidazol-1-yl]butanoate

Systemtic Name: methyl 4-[2-(4-cyanophenyl)-5-[(3-methoxy-3-oxidanylidene-propyl)carbamoyl]benzimidazol-1-yl]butanoate Openeye Name: methyl 4-[2-(4-cyanophenyl)-5-[(3-methoxy-3-oxo-propyl)carbamoyl]benzimidazol-1-yl]butanoate CAS Name: 4-[2-(4-cyanophenyl)-5-[[(3-methoxy-3-oxopropyl)amino]-oxomethyl]-1-benzimidazolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2-(4-cyanophenyl)-5-[(3-methoxy-3-oxopropyl)carbamoyl]benzimidazol-1-yl]butanoate Traditional Name: 4-[2-(4-cyanophenyl)-5-[(3-keto-3-methoxy-propyl)carbamoyl]benzimidazol-1-yl]butyric acid methyl ester Formula: C24H24N4O5 MolecularWeight: 448.47116

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OC)N=C1C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)CCCN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OC)N=C1C3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H24N4O5/c1-32-21(29)4-3-13-28-20-10-9-18(24(31)26-12-11-22(30)33-2)14-19(20)27-23(28)17-7-5-16(15-25)6-8-17/h5-10,14H,3-4,11-13H2,1-2H3,(H,26,31)