4-[3-[8,8-dimethyl-5-(4-pyridin-2-ylphenyl)-7H-naphthalen-2-yl]-3-oxidanyl-prop-1-ynyl]benzoic acid

Systemtic Name: 4-[3-[8,8-dimethyl-5-(4-pyridin-2-ylphenyl)-7H-naphthalen-2-yl]-3-oxidanyl-prop-1-ynyl]benzoic acid Openeye Name: 4-[3-[8,8-dimethyl-5-[4-(2-pyridyl)phenyl]-7H-naphthalen-2-yl]-3-hydroxy-prop-1-ynyl]benzoic acid CAS Name: 4-[3-[8,8-dimethyl-5-[4-(2-pyridinyl)phenyl]-7H-naphthalen-2-yl]-3-hydroxyprop-1-ynyl]benzoic acid IUPAC Name: 4-[3-[8,8-dimethyl-5-(4-pyridin-2-ylphenyl)-7H-naphthalen-2-yl]-3-hydroxyprop-1-ynyl]benzoic acid Traditional Name: 4-[3-[8,8-dimethyl-5-[4-(2-pyridyl)phenyl]-7H-naphthalen-2-yl]-3-hydroxy-prop-1-ynyl]benzoic acid Formula: C33H27NO3 MolecularWeight: 485.57238

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=C(C=C2)C(C#CC3=CC=C(C=C3)C(=O)O)O)C4=CC=C(C=C4)C5=CC=CC=N5)C

Isomeric SMILES

CC1(CC=C(C2=C1C=C(C=C2)C(C#CC3=CC=C(C=C3)C(=O)O)O)C4=CC=C(C=C4)C5=CC=CC=N5)C

InChI

InChI=1S/C33H27NO3/c1-33(2)19-18-27(23-11-13-24(14-12-23)30-5-3-4-20-34-30)28-16-15-26(21-29(28)33)31(35)17-8-22-6-9-25(10-7-22)32(36)37/h3-7,9-16,18,20-21,31,35H,19H2,1-2H3,(H,36,37)