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

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

Systemtic Name:4-[1-(8-isoquinolin-4-yl-5,5-dimethyl-6H-naphthalen-2-yl)ethenyl]benzoic acid
Openeye Name:4-[1-[8-(4-isoquinolyl)-5,5-dimethyl-6H-naphthalen-2-yl]vinyl]benzoic acid
CAS Name:4-[1-[8-(4-isoquinolinyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethenyl]benzoic acid
IUPAC Name:4-[1-(8-isoquinolin-4-yl-5,5-dimethyl-6H-naphthalen-2-yl)ethenyl]benzoic acid
Traditional Name:4-[1-[8-(4-isoquinolyl)-5,5-dimethyl-6H-naphthalen-2-yl]vinyl]benzoic acid
Formula: C30H25NO2
MolecularWeight: 431.525
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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)C(=C)C3=CC=C(C=C3)C(=O)O)C4=CN=CC5=CC=CC=C54)C


Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)C(=C)C3=CC=C(C=C3)C(=O)O)C4=CN=CC5=CC=CC=C54)C


InChI

InChI=1S/C30H25NO2/c1-19(20-8-10-21(11-9-20)29(32)33)22-12-13-28-26(16-22)25(14-15-30(28,2)3)27-18-31-17-23-6-4-5-7-24(23)27/h4-14,16-18H,1,15H2,2-3H3,(H,32,33)


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