[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-(4-ethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-(4-ethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 2-(4-ethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-ethoxyphenyl)-4-quinolinecarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 2-(4-ethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-p-phenetylcinchoninic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C28H25NO4 MolecularWeight: 439.5024

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OCC

InChI

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