ethyl 4-[5-[(E)-2-(7-bromanylquinolin-2-yl)ethenyl]-2-chloranyl-phenoxy]butanoate

Systemtic Name: ethyl 4-[5-[(E)-2-(7-bromanylquinolin-2-yl)ethenyl]-2-chloranyl-phenoxy]butanoate Openeye Name: ethyl 4-[5-[(E)-2-(7-bromo-2-quinolyl)vinyl]-2-chloro-phenoxy]butanoate CAS Name: 4-[5-[(E)-2-(7-bromo-2-quinolinyl)ethenyl]-2-chlorophenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(E)-2-(7-bromoquinolin-2-yl)ethenyl]-2-chlorophenoxy]butanoate Traditional Name: 4-[5-[(E)-2-(7-bromo-2-quinolyl)vinyl]-2-chloro-phenoxy]butyric acid ethyl ester Formula: C23H21BrClNO3 MolecularWeight: 474.77474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=C(C=CC(=C1)C=CC2=NC3=C(C=CC(=C3)Br)C=C2)Cl

Isomeric SMILES

CCOC(=O)CCCOC1=C(C=CC(=C1)/C=C/C2=NC3=C(C=CC(=C3)Br)C=C2)Cl

InChI

InChI=1S/C23H21BrClNO3/c1-2-28-23(27)4-3-13-29-22-14-16(6-12-20(22)25)5-10-19-11-8-17-7-9-18(24)15-21(17)26-19/h5-12,14-15H,2-4,13H2,1H3/b10-5+