phenacyl 6-bromanyl-2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxylate

Systemtic Name: phenacyl 6-bromanyl-2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: phenacyl 6-bromo-2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methoxyphenyl)-3-methyl-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 6-bromo-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-methoxyphenyl)-3-methyl-cinchoninic acid phenacyl ester Formula: C26H20BrNO4 MolecularWeight: 490.3453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)OCC(=O)C3=CC=CC=C3)Br)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)OCC(=O)C3=CC=CC=C3)Br)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H20BrNO4/c1-16-24(26(30)32-15-23(29)17-6-4-3-5-7-17)21-14-19(27)10-13-22(21)28-25(16)18-8-11-20(31-2)12-9-18/h3-14H,15H2,1-2H3