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

Systemtic Name: [2-(2-chlorophenyl)-2-oxidanylidene-ethyl] 2-(4-ethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(2-chlorophenyl)-2-oxo-ethyl] 2-(4-ethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-ethoxyphenyl)-4-quinolinecarboxylic acid [2-(2-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-chlorophenyl)-2-oxoethyl] 2-(4-ethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-p-phenetylcinchoninic acid [2-(2-chlorophenyl)-2-keto-ethyl] ester Formula: C26H20ClNO4 MolecularWeight: 445.8943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C26H20ClNO4/c1-2-31-18-13-11-17(12-14-18)24-15-21(19-7-4-6-10-23(19)28-24)26(30)32-16-25(29)20-8-3-5-9-22(20)27/h3-15H,2,16H2,1H3