4-acetyloxy-6-[3-(1-adamantyl)-4-methoxy-phenyl]-1-methyl-naphthalene-2-carboxylic acid

Systemtic Name: 4-acetyloxy-6-[3-(1-adamantyl)-4-methoxy-phenyl]-1-methyl-naphthalene-2-carboxylic acid Openeye Name: 4-acetoxy-6-[3-(1-adamantyl)-4-methoxy-phenyl]-1-methyl-naphthalene-2-carboxylic acid CAS Name: 4-acetyloxy-6-[3-(1-adamantyl)-4-methoxyphenyl]-1-methyl-2-naphthalenecarboxylic acid IUPAC Name: 4-acetyloxy-6-[3-(1-adamantyl)-4-methoxyphenyl]-1-methylnaphthalene-2-carboxylic acid Traditional Name: 4-acetoxy-6-[3-(1-adamantyl)-4-methoxy-phenyl]-1-methyl-2-naphthoic acid Formula: C31H32O5 MolecularWeight: 484.58278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=CC2=C(C=C1C(=O)O)OC(=O)C)C3=CC(=C(C=C3)OC)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C2C=CC(=CC2=C(C=C1C(=O)O)OC(=O)C)C3=CC(=C(C=C3)OC)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H32O5/c1-17-24-6-4-22(11-26(24)29(36-18(2)32)13-25(17)30(33)34)23-5-7-28(35-3)27(12-23)31-14-19-8-20(15-31)10-21(9-19)16-31/h4-7,11-13,19-21H,8-10,14-16H2,1-3H3,(H,33,34)