phenacyl 6-methyl-2-(4-propylphenyl)quinoline-4-carboxylate

Systemtic Name: phenacyl 6-methyl-2-(4-propylphenyl)quinoline-4-carboxylate Openeye Name: phenacyl 6-methyl-2-(4-propylphenyl)quinoline-4-carboxylate CAS Name: 6-methyl-2-(4-propylphenyl)-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 6-methyl-2-(4-propylphenyl)quinoline-4-carboxylate Traditional Name: 6-methyl-2-(4-propylphenyl)cinchoninic acid phenacyl ester Formula: C28H25NO3 MolecularWeight: 423.503

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H25NO3/c1-3-7-20-11-13-21(14-12-20)26-17-24(23-16-19(2)10-15-25(23)29-26)28(31)32-18-27(30)22-8-5-4-6-9-22/h4-6,8-17H,3,7,18H2,1-2H3