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

Systemtic Name: 6-[4-methoxy-3-(3-methyl-1-adamantyl)phenyl]naphthalene-2-carboxylic acid Openeye Name: 6-[4-methoxy-3-(3-methyl-1-adamantyl)phenyl]naphthalene-2-carboxylic acid CAS Name: 6-[4-methoxy-3-(3-methyl-1-adamantyl)phenyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[4-methoxy-3-(3-methyl-1-adamantyl)phenyl]naphthalene-2-carboxylic acid Traditional Name: 6-[4-methoxy-3-(3-methyl-1-adamantyl)phenyl]-2-naphthoic acid Formula: C29H30O3 MolecularWeight: 426.5467

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)CC(C3)(C2)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O)OC

Isomeric SMILES

CC12CC3CC(C1)CC(C3)(C2)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O)OC

InChI

InChI=1S/C29H30O3/c1-28-13-18-9-19(14-28)16-29(15-18,17-28)25-12-23(7-8-26(25)32-2)21-3-4-22-11-24(27(30)31)6-5-20(22)10-21/h3-8,10-12,18-19H,9,13-17H2,1-2H3,(H,30,31)