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

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-ethoxy-3-methoxyphenyl)-2-propenoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-ethoxy-3-methoxy-phenyl)acrylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)OCC2=CC=C(C=C2)N3C=CC=N3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)OC

InChI

InChI=1S/C22H22N2O4/c1-3-27-20-11-7-17(15-21(20)26-2)8-12-22(25)28-16-18-5-9-19(10-6-18)24-14-4-13-23-24/h4-15H,3,16H2,1-2H3/b12-8+