4-[(E)-2-(5,5-dimethyl-6H-isoquinolin-4-yl)-1-naphthalen-2-yl-ethenyl]-2-methyl-benzoic acid

Systemtic Name: 4-[(E)-2-(5,5-dimethyl-6H-isoquinolin-4-yl)-1-naphthalen-2-yl-ethenyl]-2-methyl-benzoic acid Openeye Name: 4-[(E)-2-(5,5-dimethyl-6H-isoquinolin-4-yl)-1-(2-naphthyl)vinyl]-2-methyl-benzoic acid CAS Name: 4-[(E)-2-(5,5-dimethyl-6H-isoquinolin-4-yl)-1-(2-naphthalenyl)ethenyl]-2-methylbenzoic acid IUPAC Name: 4-[(E)-2-(5,5-dimethyl-6H-isoquinolin-4-yl)-1-naphthalen-2-ylethenyl]-2-methylbenzoic acid Traditional Name: 4-[(E)-2-(5,5-dimethyl-6H-isoquinolin-4-yl)-1-(2-naphthyl)vinyl]-2-methyl-benzoic acid Formula: C31H27NO2 MolecularWeight: 445.55158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=CC2=C3C(=CN=C2)C=CCC3(C)C)C4=CC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)/C(=C\C2=C3C(=CN=C2)C=CCC3(C)C)/C4=CC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C31H27NO2/c1-20-15-23(12-13-27(20)30(33)34)28(24-11-10-21-7-4-5-8-22(21)16-24)17-26-19-32-18-25-9-6-14-31(2,3)29(25)26/h4-13,15-19H,14H2,1-3H3,(H,33,34)/b28-17+