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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=C(N2CC3=CC=CC=C3F)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=C(N2CC3=CC=CC=C3F)C)C

InChI

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