ethyl 1-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-4-(3-phenylpropyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[(E)-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-[(E)-3-(1-methylpyrazol-4-yl)acryloyl]-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C=CC2=CN(N=C2)C)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)/C=C/C2=CN(N=C2)C)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O3/c1-3-30-23(29)24(13-7-10-20-8-5-4-6-9-20)14-16-27(17-15-24)22(28)12-11-21-18-25-26(2)19-21/h4-6,8-9,11-12,18-19H,3,7,10,13-17H2,1-2H3/b12-11+