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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C23CC4CC(C2)CC(C4)C3)C5=CC6=CC=CC=C6C=C5C(=O)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1C23CC4CC(C2)CC(C4)C3)C5=CC6=CC=CC=C6C=C5C(=O)O)OC

InChI

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