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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C=CC(=C2)C3=CC(=C(C=C3)OC)C45CC6CC(C4)CC(C6)C5)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1C=CC(=C2)C3=CC(=C(C=C3)OC)C45CC6CC(C4)CC(C6)C5)C(=O)O

InChI

InChI=1S/C29H30O3/c1-17-24-6-3-21(12-23(24)4-7-25(17)28(30)31)22-5-8-27(32-2)26(13-22)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)