[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 6-chloranyl-2-methyl-quinoline-3-carboxylate

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 6-chloranyl-2-methyl-quinoline-3-carboxylate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl] 6-chloro-2-methyl-quinoline-3-carboxylate CAS Name: 6-chloro-2-methyl-3-quinolinecarboxylic acid [2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate Traditional Name: 6-chloro-2-methyl-quinoline-3-carboxylic acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl] ester Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)OCC(=O)NCCC3=CCCCC3

Isomeric SMILES

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)OCC(=O)NCCC3=CCCCC3

InChI

InChI=1S/C21H23ClN2O3/c1-14-18(12-16-11-17(22)7-8-19(16)24-14)21(26)27-13-20(25)23-10-9-15-5-3-2-4-6-15/h5,7-8,11-12H,2-4,6,9-10,13H2,1H3,(H,23,25)