[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O5/c1-28-19-9-10-22(29-2)20(12-19)21(26)16-30-23(27)11-8-18-13-24-25(15-18)14-17-6-4-3-5-7-17/h3-13,15H,14,16H2,1-2H3/b11-8+