phenacyl 6-ethyl-3-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: phenacyl 6-ethyl-3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: phenacyl 6-ethyl-3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-ethyl-3-methyl-2-phenyl-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 6-ethyl-3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-ethyl-3-methyl-2-phenyl-cinchoninic acid phenacyl ester Formula: C27H23NO3 MolecularWeight: 409.47642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C(N=C2C=C1)C3=CC=CC=C3)C)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C(=C(N=C2C=C1)C3=CC=CC=C3)C)C(=O)OCC(=O)C4=CC=CC=C4

InChI

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