(5-ethanoyl-2-methoxy-phenyl)methyl (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O4/c1-17(26)20-9-10-22(28-2)21(12-20)16-29-23(27)11-8-19-13-24-25(15-19)14-18-6-4-3-5-7-18/h3-13,15H,14,16H2,1-2H3/b11-8+