methyl 4-[[3-(1H-benzimidazol-2-yl)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[3-(1H-benzimidazol-2-yl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[3-(1H-benzimidazol-2-yl)anilino]-4-oxo-butanoate CAS Name: 4-[3-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[3-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoate Traditional Name: 4-[3-(1H-benzimidazol-2-yl)anilino]-4-keto-butyric acid methyl ester Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3N2

Isomeric SMILES

COC(=O)CCC(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H17N3O3/c1-24-17(23)10-9-16(22)19-13-6-4-5-12(11-13)18-20-14-7-2-3-8-15(14)21-18/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21)