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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)C(=O)N2CCCC(C2)(CC3=CC(=CC=C3)Cl)C(=O)OCC)C

Isomeric SMILES

CCCC1=NN(C(=C1)C(=O)N2CCC[C@](C2)(CC3=CC(=CC=C3)Cl)C(=O)OCC)C

InChI

InChI=1S/C23H30ClN3O3/c1-4-8-19-14-20(26(3)25-19)21(28)27-12-7-11-23(16-27,22(29)30-5-2)15-17-9-6-10-18(24)13-17/h6,9-10,13-14H,4-5,7-8,11-12,15-16H2,1-3H3/t23-/m1/s1