4-[1-(8-isoquinolin-4-yl-5,5-dimethyl-6H-naphthalen-2-yl)ethenyl]-2-methyl-benzoic acid

Systemtic Name: 4-[1-(8-isoquinolin-4-yl-5,5-dimethyl-6H-naphthalen-2-yl)ethenyl]-2-methyl-benzoic acid Openeye Name: 4-[1-[8-(4-isoquinolyl)-5,5-dimethyl-6H-naphthalen-2-yl]vinyl]-2-methyl-benzoic acid CAS Name: 4-[1-[8-(4-isoquinolinyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]-2-methylbenzoic acid IUPAC Name: 4-[1-(8-isoquinolin-4-yl-5,5-dimethyl-6H-naphthalen-2-yl)ethenyl]-2-methylbenzoic acid Traditional Name: 4-[1-[8-(4-isoquinolyl)-5,5-dimethyl-6H-naphthalen-2-yl]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(=C)C2=CC3=C(C=C2)C(CC=C3C4=CN=CC5=CC=CC=C54)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=C)C2=CC3=C(C=C2)C(CC=C3C4=CN=CC5=CC=CC=C54)(C)C)C(=O)O

InChI

InChI=1S/C31H27NO2/c1-19-15-21(9-11-24(19)30(33)34)20(2)22-10-12-29-27(16-22)26(13-14-31(29,3)4)28-18-32-17-23-7-5-6-8-25(23)28/h5-13,15-18H,2,14H2,1,3-4H3,(H,33,34)