ethyl 4-[5-bromanyl-2-[(3-fluorophenyl)methoxy]phenyl]-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 4-[5-bromanyl-2-[(3-fluorophenyl)methoxy]phenyl]-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: ethyl 4-[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-[5-bromo-2-(3-fluorobenzyl)oxy-phenyl]-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester Formula: C26H25BrFNO4 MolecularWeight: 514.383403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=C(C=CC(=C3)Br)OCC4=CC(=CC=C4)F)C(=O)CCC2)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=C(C=CC(=C3)Br)OCC4=CC(=CC=C4)F)C(=O)CCC2)C

InChI

InChI=1S/C26H25BrFNO4/c1-3-32-26(31)23-15(2)29-20-8-5-9-21(30)25(20)24(23)19-13-17(27)10-11-22(19)33-14-16-6-4-7-18(28)12-16/h4,6-7,10-13,24,29H,3,5,8-9,14H2,1-2H3