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

Systemtic Name: 1-[3-(1-adamantyl)-4-methoxy-phenyl]naphthalene-2-carboxylic acid Openeye Name: 1-[3-(1-adamantyl)-4-methoxy-phenyl]naphthalene-2-carboxylic acid CAS Name: 1-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthalenecarboxylic acid IUPAC Name: 1-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid Traditional Name: 1-[3-(1-adamantyl)-4-methoxy-phenyl]-2-naphthoic acid Formula: C28H28O3 MolecularWeight: 412.52012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C=CC3=CC=CC=C32)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C=CC3=CC=CC=C32)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H28O3/c1-31-25-9-7-21(26-22-5-3-2-4-20(22)6-8-23(26)27(29)30)13-24(25)28-14-17-10-18(15-28)12-19(11-17)16-28/h2-9,13,17-19H,10-12,14-16H2,1H3,(H,29,30)