ethyl (3S)-1-(2-methyl-5-propan-2-yl-pyrazol-3-yl)carbonyl-3-(3-phenylpropyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(2-methyl-5-propan-2-yl-pyrazol-3-yl)carbonyl-3-(3-phenylpropyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(5-isopropyl-2-methyl-pyrazole-3-carbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(2-methyl-5-propan-2-yl-3-pyrazolyl)-oxomethyl]-3-(3-phenylpropyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(2-methyl-5-propan-2-ylpyrazole-3-carbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(5-isopropyl-2-methyl-pyrazole-3-carbonyl)-3-(3-phenylpropyl)nipecotic acid ethyl ester Formula: C25H35N3O3 MolecularWeight: 425.5637

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC(=NN2C)C(C)C)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@]1(CCCN(C1)C(=O)C2=CC(=NN2C)C(C)C)CCCC3=CC=CC=C3

InChI

InChI=1S/C25H35N3O3/c1-5-31-24(30)25(14-9-13-20-11-7-6-8-12-20)15-10-16-28(18-25)23(29)22-17-21(19(2)3)26-27(22)4/h6-8,11-12,17,19H,5,9-10,13-16,18H2,1-4H3/t25-/m0/s1