phenacyl 2-(4-ethylphenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: phenacyl 2-(4-ethylphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: phenacyl 2-(4-ethylphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(4-ethylphenyl)-8-methyl-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-ethylphenyl)-8-methyl-cinchoninic acid phenacyl ester Formula: C27H23NO3 MolecularWeight: 409.47642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H23NO3/c1-3-19-12-14-20(15-13-19)24-16-23(22-11-7-8-18(2)26(22)28-24)27(30)31-17-25(29)21-9-5-4-6-10-21/h4-16H,3,17H2,1-2H3