[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 6-ethyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 6-ethyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] 6-ethyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-ethyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(3-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyphenyl)-2-oxoethyl] 6-ethyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-ethyl-2-(p-tolyl)cinchoninic acid [2-keto-2-(3-methoxyphenyl)ethyl] ester Formula: C28H25NO4 MolecularWeight: 439.5024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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