[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [(2R)-1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C24H30N2O3 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC(C)C(=O)NCCC3=CCCCC3

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)O[C@H](C)C(=O)NCCC3=CCCCC3

InChI

InChI=1S/C24H30N2O3/c1-4-20-16(2)22(19-12-8-9-13-21(19)26-20)24(28)29-17(3)23(27)25-15-14-18-10-6-5-7-11-18/h8-10,12-13,17H,4-7,11,14-15H2,1-3H3,(H,25,27)/t17-/m1/s1