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

Systemtic Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(2-methyl-5-propan-2-yl-pyrazol-3-yl)carbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(5-isopropyl-2-methyl-pyrazole-3-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(3-chlorophenyl)methyl]-1-[(2-methyl-5-propan-2-yl-3-pyrazolyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(2-methyl-5-propan-2-ylpyrazole-3-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(3-chlorobenzyl)-1-(5-isopropyl-2-methyl-pyrazole-3-carbonyl)nipecotic acid ethyl ester Formula: C23H30ClN3O3 MolecularWeight: 431.9556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC(=NN2C)C(C)C)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CC(=NN2C)C(C)C)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H30ClN3O3/c1-5-30-22(29)23(14-17-8-6-9-18(24)12-17)10-7-11-27(15-23)21(28)20-13-19(16(2)3)25-26(20)4/h6,8-9,12-13,16H,5,7,10-11,14-15H2,1-4H3/t23-/m0/s1