methyl 1-[(E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[(E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]pyrrolidine-2-carboxylate Openeye Name: methyl 1-[(E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]pyrrolidine-2-carboxylate CAS Name: 1-[(E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-1-oxoprop-2-enyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[(E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]acryloyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C26H27N3O5 MolecularWeight: 461.50968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)N3CCCC3C(=O)OC)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C/C(=O)N3CCCC3C(=O)OC)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H27N3O5/c1-32-22-13-11-18(16-23(22)33-2)25-19(17-29(27-25)20-8-5-4-6-9-20)12-14-24(30)28-15-7-10-21(28)26(31)34-3/h4-6,8-9,11-14,16-17,21H,7,10,15H2,1-3H3/b14-12+