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

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) (E)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OC(C3=CC=CC=C3)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)OC(C3=CC=CC=C3)C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C27H23N3O4/c1-33-23-15-12-19(13-16-23)25-21(18-30(29-25)22-10-6-3-7-11-22)14-17-24(31)34-26(27(28)32)20-8-4-2-5-9-20/h2-18,26H,1H3,(H2,28,32)/b17-14+