[(2R)-1-[cyclohexyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenylquinoline-4-carboxylate

Systemtic Name: [(2R)-1-[cyclohexyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenylquinoline-4-carboxylate Openeye Name: [(1R)-2-[cyclohexyl(methyl)amino]-1-methyl-2-oxo-ethyl] 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid [(1R)-2-[cyclohexyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCCCC1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)N(C)C1CCCCC1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3/c1-18(25(29)28(2)20-13-7-4-8-14-20)31-26(30)22-17-24(19-11-5-3-6-12-19)27-23-16-10-9-15-21(22)23/h3,5-6,9-12,15-18,20H,4,7-8,13-14H2,1-2H3/t18-/m1/s1