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

Systemtic Name: ethyl 1-[1-[(3-fluorophenyl)methyl]-3,5-dimethyl-pyrrol-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-[(3-fluorophenyl)methyl]-3,5-dimethyl-pyrrole-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-[(3-fluorophenyl)methyl]-3,5-dimethyl-2-pyrrolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrrole-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(3-fluorobenzyl)-3,5-dimethyl-pyrrole-2-carbonyl]nipecotic acid ethyl ester Formula: C22H27FN2O3 MolecularWeight: 386.459783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=C(N2CC3=CC(=CC=C3)F)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=C(N2CC3=CC(=CC=C3)F)C)C

InChI

InChI=1S/C22H27FN2O3/c1-4-28-22(27)18-8-6-10-24(14-18)21(26)20-15(2)11-16(3)25(20)13-17-7-5-9-19(23)12-17/h5,7,9,11-12,18H,4,6,8,10,13-14H2,1-3H3