3-(3,5-dimethyl-1-adamantyl)-1-(4-methoxyphenyl)naphthalene-2-carboxylic acid

Systemtic Name: 3-(3,5-dimethyl-1-adamantyl)-1-(4-methoxyphenyl)naphthalene-2-carboxylic acid Openeye Name: 3-(3,5-dimethyl-1-adamantyl)-1-(4-methoxyphenyl)naphthalene-2-carboxylic acid CAS Name: 3-(3,5-dimethyl-1-adamantyl)-1-(4-methoxyphenyl)-2-naphthalenecarboxylic acid IUPAC Name: 3-(3,5-dimethyl-1-adamantyl)-1-(4-methoxyphenyl)naphthalene-2-carboxylic acid Traditional Name: 3-(3,5-dimethyl-1-adamantyl)-1-(4-methoxyphenyl)-2-naphthoic acid Formula: C30H32O3 MolecularWeight: 440.57328

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C4=CC5=CC=CC=C5C(=C4C(=O)O)C6=CC=C(C=C6)OC)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)C4=CC5=CC=CC=C5C(=C4C(=O)O)C6=CC=C(C=C6)OC)C

InChI

InChI=1S/C30H32O3/c1-28-13-19-14-29(2,16-28)18-30(15-19,17-28)24-12-21-6-4-5-7-23(21)25(26(24)27(31)32)20-8-10-22(33-3)11-9-20/h4-12,19H,13-18H2,1-3H3,(H,31,32)