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

Systemtic Name: ethyl (3R)-3-[(2-fluorophenyl)methyl]-1-(2-methyl-5-propyl-pyrazol-3-yl)carbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3R)-3-[(2-fluorophenyl)methyl]-1-(2-methyl-5-propyl-pyrazole-3-carbonyl)piperidine-3-carboxylate CAS Name: (3R)-3-[(2-fluorophenyl)methyl]-1-[(2-methyl-5-propyl-3-pyrazolyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-[(2-fluorophenyl)methyl]-1-(2-methyl-5-propylpyrazole-3-carbonyl)piperidine-3-carboxylate Traditional Name: (3R)-3-(2-fluorobenzyl)-1-(2-methyl-5-propyl-pyrazole-3-carbonyl)nipecotic acid ethyl ester Formula: C23H30FN3O3 MolecularWeight: 415.501003

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)C(=O)N2CCCC(C2)(CC3=CC=CC=C3F)C(=O)OCC)C

Isomeric SMILES

CCCC1=NN(C(=C1)C(=O)N2CCC[C@](C2)(CC3=CC=CC=C3F)C(=O)OCC)C

InChI

InChI=1S/C23H30FN3O3/c1-4-9-18-14-20(26(3)25-18)21(28)27-13-8-12-23(16-27,22(29)30-5-2)15-17-10-6-7-11-19(17)24/h6-7,10-11,14H,4-5,8-9,12-13,15-16H2,1-3H3/t23-/m1/s1