(1-oxidanylidene-1-phenyl-propan-2-yl) 7-chloranyl-8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 7-chloranyl-8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 2-(4-benzyloxyphenyl)-7-chloro-8-methyl-quinoline-4-carboxylate CAS Name: 7-chloro-8-methyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 7-chloro-8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-7-chloro-8-methyl-cinchoninic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C33H26ClNO4 MolecularWeight: 536.01684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(C=C2C(=O)OC(C)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(C=C2C(=O)OC(C)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5)Cl

InChI

InChI=1S/C33H26ClNO4/c1-21-29(34)18-17-27-28(33(37)39-22(2)32(36)25-11-7-4-8-12-25)19-30(35-31(21)27)24-13-15-26(16-14-24)38-20-23-9-5-3-6-10-23/h3-19,22H,20H2,1-2H3