methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxy-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxy-3-oxidanylidene-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]oxy-3-oxo-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enoxy]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3-oxobutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(E)-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]oxy-3-keto-butyric acid methyl ester Formula: C22H20N2O7 MolecularWeight: 424.4034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC)O

InChI

InChI=1S/C22H20N2O7/c1-29-18-11-13(7-9-16(18)25)8-10-19(27)31-12-17(26)20(22(28)30-2)21-23-14-5-3-4-6-15(14)24-21/h3-11,23-25H,12H2,1-2H3/b10-8+