6-(1-adamantyl)-3-(4-methoxyphenyl)-1-methyl-4-oxidanyl-naphthalene-2-carboxylic acid

Systemtic Name: 6-(1-adamantyl)-3-(4-methoxyphenyl)-1-methyl-4-oxidanyl-naphthalene-2-carboxylic acid Openeye Name: 6-(1-adamantyl)-4-hydroxy-3-(4-methoxyphenyl)-1-methyl-naphthalene-2-carboxylic acid CAS Name: 6-(1-adamantyl)-4-hydroxy-3-(4-methoxyphenyl)-1-methyl-2-naphthalenecarboxylic acid IUPAC Name: 6-(1-adamantyl)-4-hydroxy-3-(4-methoxyphenyl)-1-methylnaphthalene-2-carboxylic acid Traditional Name: 6-(1-adamantyl)-4-hydroxy-3-(4-methoxyphenyl)-1-methyl-2-naphthoic acid Formula: C29H30O4 MolecularWeight: 442.5461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1C=CC(=C2)C34CC5CC(C3)CC(C5)C4)O)C6=CC=C(C=C6)OC)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C2=C1C=CC(=C2)C34CC5CC(C3)CC(C5)C4)O)C6=CC=C(C=C6)OC)C(=O)O

InChI

InChI=1S/C29H30O4/c1-16-23-8-5-21(29-13-17-9-18(14-29)11-19(10-17)15-29)12-24(23)27(30)26(25(16)28(31)32)20-3-6-22(33-2)7-4-20/h3-8,12,17-19,30H,9-11,13-15H2,1-2H3,(H,31,32)