(4-pyrazol-1-ylphenyl)methyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC2=CC=C(C=C2)N3C=CC=N3)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)O

InChI

InChI=1S/C20H18N2O4/c1-25-19-13-15(5-9-18(19)23)6-10-20(24)26-14-16-3-7-17(8-4-16)22-12-2-11-21-22/h2-13,23H,14H2,1H3/b10-6+