[(1R)-2-(cyclohexylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(2-methylpropyl)quinoline-4-carboxylate

Systemtic Name: [(1R)-2-(cyclohexylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(2-methylpropyl)quinoline-4-carboxylate Openeye Name: [(1R)-2-(cyclohexylamino)-2-oxo-1-phenyl-ethyl] 2-isobutylquinoline-4-carboxylate CAS Name: 2-(2-methylpropyl)-4-quinolinecarboxylic acid [(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl] 2-(2-methylpropyl)quinoline-4-carboxylate Traditional Name: 2-isobutylcinchoninic acid [(1R)-2-(cyclohexylamino)-2-keto-1-phenyl-ethyl] ester Formula: C28H32N2O3 MolecularWeight: 444.56528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C3=CC=CC=C3)C(=O)NC4CCCCC4

Isomeric SMILES

CC(C)CC1=NC2=CC=CC=C2C(=C1)C(=O)O[C@H](C3=CC=CC=C3)C(=O)NC4CCCCC4

InChI

InChI=1S/C28H32N2O3/c1-19(2)17-22-18-24(23-15-9-10-16-25(23)29-22)28(32)33-26(20-11-5-3-6-12-20)27(31)30-21-13-7-4-8-14-21/h3,5-6,9-12,15-16,18-19,21,26H,4,7-8,13-14,17H2,1-2H3,(H,30,31)/t26-/m1/s1