methyl 2-[[(E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]amino]ethanoate

Systemtic Name: methyl 2-[[(E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]amino]ethanoate Openeye Name: methyl 2-[[(E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]amino]acetate CAS Name: 2-[[(E)-3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-1-oxoprop-2-enyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]amino]acetate Traditional Name: 2-[[(E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acryloyl]amino]acetic acid methyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4/c1-28-19-11-8-16(9-12-19)22-17(10-13-20(26)23-14-21(27)29-2)15-25(24-22)18-6-4-3-5-7-18/h3-13,15H,14H2,1-2H3,(H,23,26)/b13-10+