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

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 2-(4-methoxyphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-8-methyl-4-quinolinecarboxylic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-methoxyphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)-8-methyl-cinchoninic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C28H25NO4 MolecularWeight: 439.5024

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H25NO4/c1-17-8-9-18(2)23(14-17)26(30)16-33-28(31)24-15-25(20-10-12-21(32-4)13-11-20)29-27-19(3)6-5-7-22(24)27/h5-15H,16H2,1-4H3