[2-[(2R)-2-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylate

Systemtic Name: [2-[(2R)-2-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylate Openeye Name: [2-[(2R)-2-carbamoyl-1-piperidyl]-2-oxo-ethyl] 2,5-dimethyl-1-(m-tolyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(3-methylphenyl)-3-pyrrolecarboxylic acid [2-[(2R)-2-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(m-tolyl)pyrrole-3-carboxylic acid [2-[(2R)-2-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C22H27N3O4 MolecularWeight: 397.46748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=C2C)C(=O)OCC(=O)N3CCCCC3C(=O)N)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=C2C)C(=O)OCC(=O)N3CCCC[C@@H]3C(=O)N)C

InChI

InChI=1S/C22H27N3O4/c1-14-7-6-8-17(11-14)25-15(2)12-18(16(25)3)22(28)29-13-20(26)24-10-5-4-9-19(24)21(23)27/h6-8,11-12,19H,4-5,9-10,13H2,1-3H3,(H2,23,27)/t19-/m1/s1