[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-(2-methylpropyl)quinoline-4-carboxylate

Systemtic Name: [1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-(2-methylpropyl)quinoline-4-carboxylate Openeye Name: [2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 2-isobutylquinoline-4-carboxylate CAS Name: 2-(2-methylpropyl)-4-quinolinecarboxylic acid [1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(2-methylpropyl)quinoline-4-carboxylate Traditional Name: 2-isobutylcinchoninic acid [2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C)C(=O)NC3CCCCC3

Isomeric SMILES

CC(C)CC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C)C(=O)NC3CCCCC3

InChI

InChI=1S/C23H30N2O3/c1-15(2)13-18-14-20(19-11-7-8-12-21(19)24-18)23(27)28-16(3)22(26)25-17-9-5-4-6-10-17/h7-8,11-12,14-17H,4-6,9-10,13H2,1-3H3,(H,25,26)