[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-propylquinoline-4-carboxylate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-propylquinoline-4-carboxylate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 2-propylquinoline-4-carboxylate CAS Name: 2-propyl-4-quinolinecarboxylic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 2-propylquinoline-4-carboxylate Traditional Name: 2-propylcinchoninic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H21NO3/c1-3-6-17-13-19(18-7-4-5-8-20(18)23-17)22(25)26-14-21(24)16-11-9-15(2)10-12-16/h4-5,7-13H,3,6,14H2,1-2H3