(1-oxidanylidene-1-phenyl-butan-2-yl) 2-(4-propan-2-ylphenyl)quinoline-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 2-(4-propan-2-ylphenyl)quinoline-4-carboxylate Openeye Name: 1-benzoylpropyl 2-(4-isopropylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-propan-2-ylphenyl)-4-quinolinecarboxylic acid (1-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (1-oxo-1-phenylbutan-2-yl) 2-(4-propan-2-ylphenyl)quinoline-4-carboxylate Traditional Name: 2-p-cumenylcinchoninic acid 1-benzoylpropyl ester Formula: C29H27NO3 MolecularWeight: 437.52958

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C29H27NO3/c1-4-27(28(31)22-10-6-5-7-11-22)33-29(32)24-18-26(30-25-13-9-8-12-23(24)25)21-16-14-20(15-17-21)19(2)3/h5-19,27H,4H2,1-3H3