[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxo-ethyl] 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid [2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-keto-ethyl] ester Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)C2=CC(=CN2C)C(=O)C

Isomeric SMILES

C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=CC(=CN2C)C(=O)C

InChI

InChI=1S/C18H26N2O4/c1-11-6-5-7-15(12(11)2)19-17(22)10-24-18(23)16-8-14(13(3)21)9-20(16)4/h8-9,11-12,15H,5-7,10H2,1-4H3,(H,19,22)/t11-,12-,15-/m1/s1