[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3)O

InChI

InChI=1S/C21H20N2O5/c1-27-19-13-15(7-9-18(19)24)8-10-21(26)28-14-20(25)23-12-11-17(22-23)16-5-3-2-4-6-16/h2-10,13,24H,11-12,14H2,1H3/b10-8+