ethyl 4-[3-[(E)-2-(7-bromanylquinolin-2-yl)ethenyl]phenoxy]-3-methyl-butanoate

Systemtic Name: ethyl 4-[3-[(E)-2-(7-bromanylquinolin-2-yl)ethenyl]phenoxy]-3-methyl-butanoate Openeye Name: ethyl 4-[3-[(E)-2-(7-bromo-2-quinolyl)vinyl]phenoxy]-3-methyl-butanoate CAS Name: 4-[3-[(E)-2-(7-bromo-2-quinolinyl)ethenyl]phenoxy]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(E)-2-(7-bromoquinolin-2-yl)ethenyl]phenoxy]-3-methylbutanoate Traditional Name: 4-[3-[(E)-2-(7-bromo-2-quinolyl)vinyl]phenoxy]-3-methyl-butyric acid ethyl ester Formula: C24H24BrNO3 MolecularWeight: 454.35626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)COC1=CC=CC(=C1)C=CC2=NC3=C(C=CC(=C3)Br)C=C2

Isomeric SMILES

CCOC(=O)CC(C)COC1=CC=CC(=C1)/C=C/C2=NC3=C(C=CC(=C3)Br)C=C2

InChI

InChI=1S/C24H24BrNO3/c1-3-28-24(27)13-17(2)16-29-22-6-4-5-18(14-22)7-11-21-12-9-19-8-10-20(25)15-23(19)26-21/h4-12,14-15,17H,3,13,16H2,1-2H3/b11-7+