[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC(=O)NCC4CCCCC4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC(=O)NCC4CCCCC4

InChI

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