phenacyl 2-(4-propan-2-ylphenyl)quinoline-4-carboxylate

Systemtic Name: phenacyl 2-(4-propan-2-ylphenyl)quinoline-4-carboxylate Openeye Name: phenacyl 2-(4-isopropylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-propan-2-ylphenyl)-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-(4-propan-2-ylphenyl)quinoline-4-carboxylate Traditional Name: 2-p-cumenylcinchoninic acid phenacyl ester Formula: C27H23NO3 MolecularWeight: 409.47642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H23NO3/c1-18(2)19-12-14-20(15-13-19)25-16-23(22-10-6-7-11-24(22)28-25)27(30)31-17-26(29)21-8-4-3-5-9-21/h3-16,18H,17H2,1-2H3