[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 8-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 8-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 8-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 8-methyl-2-phenyl-4-quinolinecarboxylic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 8-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 8-methyl-2-phenyl-cinchoninic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C27H23NO3 MolecularWeight: 409.47642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC(=NC3=C2C=CC=C3C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC(=NC3=C2C=CC=C3C)C4=CC=CC=C4

InChI

InChI=1S/C27H23NO3/c1-17-12-13-18(2)22(14-17)25(29)16-31-27(30)23-15-24(20-9-5-4-6-10-20)28-26-19(3)8-7-11-21(23)26/h4-15H,16H2,1-3H3