[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylate

Systemtic Name: [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylate Openeye Name: [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylate CAS Name: 2-(methoxymethyl)-4-methyl-3-quinolinecarboxylic acid [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate Traditional Name: 2-(methoxymethyl)-4-methyl-quinoline-3-carboxylic acid [2-keto-2-[[(1S,2R)-2-methylcyclohexyl]amino]ethyl] ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=C(C3=CC=CC=C3N=C2COC)C

Isomeric SMILES

C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=C(C3=CC=CC=C3N=C2COC)C

InChI

InChI=1S/C22H28N2O4/c1-14-8-4-6-10-17(14)24-20(25)13-28-22(26)21-15(2)16-9-5-7-11-18(16)23-19(21)12-27-3/h5,7,9,11,14,17H,4,6,8,10,12-13H2,1-3H3,(H,24,25)/t14-,17+/m1/s1