ethyl 1-[3-(3-methylpyrazol-1-yl)propanoyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-(3-methylpyrazol-1-yl)propanoyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Openeye Name: ethyl 3-[(E)-cinnamyl]-1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxylate CAS Name: 1-[3-(3-methyl-1-pyrazolyl)-1-oxopropyl]-3-[(E)-3-phenylprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(3-methylpyrazol-1-yl)propanoyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Traditional Name: 3-[(E)-cinnamyl]-1-[3-(3-methylpyrazol-1-yl)propanoyl]nipecotic acid ethyl ester Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CCN2C=CC(=N2)C)CC=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)CCN2C=CC(=N2)C)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C24H31N3O3/c1-3-30-23(29)24(14-7-11-21-9-5-4-6-10-21)15-8-16-26(19-24)22(28)13-18-27-17-12-20(2)25-27/h4-7,9-12,17H,3,8,13-16,18-19H2,1-2H3/b11-7+