6-[5-(1-adamantyl)-4-methoxy-2-methyl-phenyl]naphthalene-2-carboxylic acid

Systemtic Name: 6-[5-(1-adamantyl)-4-methoxy-2-methyl-phenyl]naphthalene-2-carboxylic acid Openeye Name: 6-[5-(1-adamantyl)-4-methoxy-2-methyl-phenyl]naphthalene-2-carboxylic acid CAS Name: 6-[5-(1-adamantyl)-4-methoxy-2-methylphenyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[5-(1-adamantyl)-4-methoxy-2-methylphenyl]naphthalene-2-carboxylic acid Traditional Name: 6-[5-(1-adamantyl)-4-methoxy-2-methyl-phenyl]-2-naphthoic acid Formula: C29H30O3 MolecularWeight: 426.5467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5)OC

Isomeric SMILES

CC1=CC(=C(C=C1C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5)OC

InChI

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