ethyl 1-[2-[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]oxyethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]oxyethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(E)-3-(1,3-diphenyl-4-pyrazolyl)-1-oxoprop-2-enoxy]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(E)-3-(1,3-diphenylpyrazol-4-yl)acryloyl]oxyacetyl]isonipecotic acid ethyl ester Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)/C=C/C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H29N3O5/c1-2-35-28(34)22-15-17-30(18-16-22)25(32)20-36-26(33)14-13-23-19-31(24-11-7-4-8-12-24)29-27(23)21-9-5-3-6-10-21/h3-14,19,22H,2,15-18,20H2,1H3/b14-13+