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

Systemtic Name: [2-[(3S)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylate Openeye Name: [2-[(3S)-3-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-[(3S)-3-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-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-[(3S)-3-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=C2C)C(=O)OCC(=O)N3CCCC(C3)C(=O)N)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=C2C)C(=O)OCC(=O)N3CCC[C@@H](C3)C(=O)N)C

InChI

InChI=1S/C22H27N3O4/c1-14-6-4-8-18(10-14)25-15(2)11-19(16(25)3)22(28)29-13-20(26)24-9-5-7-17(12-24)21(23)27/h4,6,8,10-11,17H,5,7,9,12-13H2,1-3H3,(H2,23,27)/t17-/m0/s1