[2-[(E)-2-(3-bromanyl-5-chloranyl-2-propanoyloxy-phenyl)ethenyl]quinolin-8-yl] propanoate

Systemtic Name: [2-[(E)-2-(3-bromanyl-5-chloranyl-2-propanoyloxy-phenyl)ethenyl]quinolin-8-yl] propanoate Openeye Name: [2-[(E)-2-(3-bromo-5-chloro-2-propanoyloxy-phenyl)vinyl]-8-quinolyl] propanoate CAS Name: propanoic acid [2-[(E)-2-[3-bromo-5-chloro-2-(1-oxopropoxy)phenyl]ethenyl]-8-quinolinyl] ester IUPAC Name: [2-[(E)-2-(3-bromo-5-chloro-2-propanoyloxyphenyl)ethenyl]quinolin-8-yl] propanoate Traditional Name: propionic acid [2-[(E)-2-(3-bromo-5-chloro-2-propionyloxy-phenyl)vinyl]-8-quinolyl] ester Formula: C23H19BrClNO4 MolecularWeight: 488.75826

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=CC2=C1N=C(C=C2)C=CC3=CC(=CC(=C3OC(=O)CC)Br)Cl

Isomeric SMILES

CCC(=O)OC1=CC=CC2=C1N=C(C=C2)/C=C/C3=CC(=CC(=C3OC(=O)CC)Br)Cl

InChI

InChI=1S/C23H19BrClNO4/c1-3-20(27)29-19-7-5-6-14-8-10-17(26-22(14)19)11-9-15-12-16(25)13-18(24)23(15)30-21(28)4-2/h5-13H,3-4H2,1-2H3/b11-9+