2-oxidanylidenepropyl 2-(4-ethylphenyl)quinoline-4-carboxylate

Systemtic Name: 2-oxidanylidenepropyl 2-(4-ethylphenyl)quinoline-4-carboxylate Openeye Name: acetonyl 2-(4-ethylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-ethylphenyl)-4-quinolinecarboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 2-(4-ethylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-ethylphenyl)cinchoninic acid acetonyl ester Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C

InChI

InChI=1S/C21H19NO3/c1-3-15-8-10-16(11-9-15)20-12-18(21(24)25-13-14(2)23)17-6-4-5-7-19(17)22-20/h4-12H,3,13H2,1-2H3