(1-oxidanylidene-1-phenyl-propan-2-yl) 6-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 6-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 2-(4-benzyloxyphenyl)-6-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 6-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 6-ethyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-ethyl-3-methyl-cinchoninic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C35H31NO4 MolecularWeight: 529.62494

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C(N=C2C=C1)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OC(C)C(=O)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC2=C(C(=C(N=C2C=C1)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OC(C)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C35H31NO4/c1-4-25-15-20-31-30(21-25)32(35(38)40-24(3)34(37)28-13-9-6-10-14-28)23(2)33(36-31)27-16-18-29(19-17-27)39-22-26-11-7-5-8-12-26/h5-21,24H,4,22H2,1-3H3