ethyl 1-[3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]acryloyl]isonipecotic acid ethyl ester Formula: C28H31N3O5 MolecularWeight: 489.56284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C=CC2=CN(N=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C=CC2=CN(N=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C28H31N3O5/c1-4-36-28(33)20-14-16-30(17-15-20)26(32)13-11-22-19-31(23-8-6-5-7-9-23)29-27(22)21-10-12-24(34-2)25(18-21)35-3/h5-13,18-20H,4,14-17H2,1-3H3