ethyl (3R)-1-[3-(1-methylpyrazol-4-yl)propanoyl]-3-(3-phenylpropyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-[3-(1-methylpyrazol-4-yl)propanoyl]-3-(3-phenylpropyl)piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[3-(1-methylpyrazol-4-yl)propanoyl]-3-(3-phenylpropyl)piperidine-3-carboxylate CAS Name: (3R)-1-[3-(1-methyl-4-pyrazolyl)-1-oxopropyl]-3-(3-phenylpropyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[3-(1-methylpyrazol-4-yl)propanoyl]-3-(3-phenylpropyl)piperidine-3-carboxylate Traditional Name: (3R)-1-[3-(1-methylpyrazol-4-yl)propanoyl]-3-(3-phenylpropyl)nipecotic acid ethyl ester Formula: C24H33N3O3 MolecularWeight: 411.53712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CCC2=CN(N=C2)C)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)CCC2=CN(N=C2)C)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H33N3O3/c1-3-30-23(29)24(14-7-11-20-9-5-4-6-10-20)15-8-16-27(19-24)22(28)13-12-21-17-25-26(2)18-21/h4-6,9-10,17-18H,3,7-8,11-16,19H2,1-2H3/t24-/m1/s1