phenacyl 2-propan-2-ylquinoline-4-carboxylate

Systemtic Name: phenacyl 2-propan-2-ylquinoline-4-carboxylate Openeye Name: phenacyl 2-isopropylquinoline-4-carboxylate CAS Name: 2-propan-2-yl-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-propan-2-ylquinoline-4-carboxylate Traditional Name: 2-isopropylcinchoninic acid phenacyl ester Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO3/c1-14(2)19-12-17(16-10-6-7-11-18(16)22-19)21(24)25-13-20(23)15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3