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

Systemtic Name: ethyl (3R)-1-[4-ethyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrol-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[4-ethyl-3,5-dimethyl-1-(o-tolylmethyl)pyrrole-2-carbonyl]piperidine-3-carboxylate CAS Name: (3R)-1-[[4-ethyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]-2-pyrrolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[4-ethyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrole-2-carbonyl]piperidine-3-carboxylate Traditional Name: (3R)-1-[4-ethyl-3,5-dimethyl-1-(2-methylbenzyl)pyrrole-2-carbonyl]nipecotic acid ethyl ester Formula: C25H34N2O3 MolecularWeight: 410.54906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=C1C)C(=O)N2CCCC(C2)C(=O)OCC)CC3=CC=CC=C3C)C

Isomeric SMILES

CCC1=C(N(C(=C1C)C(=O)N2CCC[C@H](C2)C(=O)OCC)CC3=CC=CC=C3C)C

InChI

InChI=1S/C25H34N2O3/c1-6-22-18(4)23(27(19(22)5)16-20-12-9-8-11-17(20)3)24(28)26-14-10-13-21(15-26)25(29)30-7-2/h8-9,11-12,21H,6-7,10,13-16H2,1-5H3/t21-/m1/s1