(E)-1-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)-3-[(3S)-3,6-dimethoxycyclohexa-1,5-dien-1-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)-3-[(3S)-3,6-dimethoxycyclohexa-1,5-dien-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-3-[(3S)-3,6-dimethoxycyclohexa-1,5-dien-1-yl]prop-2-en-1-one CAS Name: (E)-1-(6-bromo-2-methyl-4-phenyl-3-quinolinyl)-3-[(3S)-3,6-dimethoxy-1-cyclohexa-1,5-dienyl]-2-propen-1-one IUPAC Name: (E)-1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-[(3S)-3,6-dimethoxycyclohexa-1,5-dien-1-yl]prop-2-en-1-one Traditional Name: (E)-1-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-3-[(3S)-3,6-dimethoxycyclohexa-1,5-dien-1-yl]prop-2-en-1-one Formula: C27H24BrNO3 MolecularWeight: 490.38836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=CC=C3)C(=O)C=CC4=CC(CC=C4OC)OC

Isomeric SMILES

CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=CC=C3)C(=O)/C=C/C4=C[C@H](CC=C4OC)OC

InChI

InChI=1S/C27H24BrNO3/c1-17-26(24(30)13-9-19-15-21(31-2)11-14-25(19)32-3)27(18-7-5-4-6-8-18)22-16-20(28)10-12-23(22)29-17/h4-10,12-16,21H,11H2,1-3H3/b13-9+/t21-/m0/s1