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

Systemtic Name: methyl 4-[(E)-3-[2-(1H-benzimidazol-2-yl)ethylamino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[2-(1H-benzimidazol-2-yl)ethylamino]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[2-(1H-benzimidazol-2-yl)ethylamino]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[2-(1H-benzimidazol-2-yl)ethylamino]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[2-(1H-benzimidazol-2-yl)ethylamino]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)NCCC2=NC3=CC=CC=C3N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)NCCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H19N3O3/c1-26-20(25)15-9-6-14(7-10-15)8-11-19(24)21-13-12-18-22-16-4-2-3-5-17(16)23-18/h2-11H,12-13H2,1H3,(H,21,24)(H,22,23)/b11-8+