phenacyl 2-(2-methylpropyl)quinoline-4-carboxylate

Systemtic Name: phenacyl 2-(2-methylpropyl)quinoline-4-carboxylate Openeye Name: phenacyl 2-isobutylquinoline-4-carboxylate CAS Name: 2-(2-methylpropyl)-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-(2-methylpropyl)quinoline-4-carboxylate Traditional Name: 2-isobutylcinchoninic acid phenacyl ester Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21NO3/c1-15(2)12-17-13-19(18-10-6-7-11-20(18)23-17)22(25)26-14-21(24)16-8-4-3-5-9-16/h3-11,13,15H,12,14H2,1-2H3