methyl 4-[(E)-3-(1H-benzimidazol-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-(1H-benzimidazol-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-(1H-benzimidazol-2-ylmethylamino)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(1H-benzimidazol-2-ylmethylamino)-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(1H-benzimidazol-2-ylmethylamino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(1H-benzimidazol-2-ylmethylamino)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C19H17N3O3 MolecularWeight: 335.35658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)NCC2=NC3=CC=CC=C3N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)NCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C19H17N3O3/c1-25-19(24)14-9-6-13(7-10-14)8-11-18(23)20-12-17-21-15-4-2-3-5-16(15)22-17/h2-11H,12H2,1H3,(H,20,23)(H,21,22)/b11-8+