(1-oxidanylidene-1-phenyl-propan-2-yl) 2-(4-methoxyphenyl)-3,6-dimethyl-quinoline-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 2-(4-methoxyphenyl)-3,6-dimethyl-quinoline-4-carboxylate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 2-(4-methoxyphenyl)-3,6-dimethyl-quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-3,6-dimethyl-4-quinolinecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 2-(4-methoxyphenyl)-3,6-dimethylquinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)-3,6-dimethyl-cinchoninic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C28H25NO4 MolecularWeight: 439.5024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(N=C2C=C1)C3=CC=C(C=C3)OC)C)C(=O)OC(C)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C(=C(N=C2C=C1)C3=CC=C(C=C3)OC)C)C(=O)OC(C)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H25NO4/c1-17-10-15-24-23(16-17)25(18(2)26(29-24)20-11-13-22(32-4)14-12-20)28(31)33-19(3)27(30)21-8-6-5-7-9-21/h5-16,19H,1-4H3