[(2S)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 3-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [(2S)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [(1S)-2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid [(1S)-2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl] ester Formula: C27H23NO4 MolecularWeight: 425.47582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OC(C)C(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)O[C@@H](C)C(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H23NO4/c1-17-24(27(30)32-18(2)26(29)20-13-15-21(31-3)16-14-20)22-11-7-8-12-23(22)28-25(17)19-9-5-4-6-10-19/h4-16,18H,1-3H3/t18-/m0/s1