[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-keto-2-[[(1S,2S)-2-methylcyclohexyl]amino]ethyl] ester Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)OCC(=O)NC2CCCCC2C)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)C

InChI

InChI=1S/C18H28N2O3/c1-5-20-13(3)10-15(14(20)4)18(22)23-11-17(21)19-16-9-7-6-8-12(16)2/h10,12,16H,5-9,11H2,1-4H3,(H,19,21)/t12-,16-/m0/s1