ethyl (3R)-1-[4-ethyl-1-[(3-fluorophenyl)methyl]-3,5-dimethyl-pyrrol-2-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-[4-ethyl-1-[(3-fluorophenyl)methyl]-3,5-dimethyl-pyrrol-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[4-ethyl-1-[(3-fluorophenyl)methyl]-3,5-dimethyl-pyrrole-2-carbonyl]piperidine-3-carboxylate CAS Name: (3R)-1-[[4-ethyl-1-[(3-fluorophenyl)methyl]-3,5-dimethyl-2-pyrrolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[4-ethyl-1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrrole-2-carbonyl]piperidine-3-carboxylate Traditional Name: (3R)-1-[4-ethyl-1-(3-fluorobenzyl)-3,5-dimethyl-pyrrole-2-carbonyl]nipecotic acid ethyl ester Formula: C24H31FN2O3 MolecularWeight: 414.512943

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=C1C)C(=O)N2CCCC(C2)C(=O)OCC)CC3=CC(=CC=C3)F)C

Isomeric SMILES

CCC1=C(N(C(=C1C)C(=O)N2CCC[C@H](C2)C(=O)OCC)CC3=CC(=CC=C3)F)C

InChI

InChI=1S/C24H31FN2O3/c1-5-21-16(3)22(27(17(21)4)14-18-9-7-11-20(25)13-18)23(28)26-12-8-10-19(15-26)24(29)30-6-2/h7,9,11,13,19H,5-6,8,10,12,14-15H2,1-4H3/t19-/m1/s1