[2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] (E)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] (E)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(4-acetamidophenyl)-2-oxo-ethyl] (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [2-(4-acetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidophenyl)-2-oxoethyl] (E)-3-(1-benzyl-3-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)acrylic acid [2-(4-acetamidophenyl)-2-keto-ethyl] ester Formula: C29H25N3O4 MolecularWeight: 479.5265

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C=CC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)/C=C/C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H25N3O4/c1-21(33)30-26-15-12-23(13-16-26)27(34)20-36-28(35)17-14-25-19-32(18-22-8-4-2-5-9-22)31-29(25)24-10-6-3-7-11-24/h2-17,19H,18,20H2,1H3,(H,30,33)/b17-14+