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

Systemtic Name: 3-(1-adamantyl)-1-[4-(carboxymethyloxy)phenyl]naphthalene-2-carboxylic acid Openeye Name: 3-(1-adamantyl)-1-[4-(carboxymethyloxy)phenyl]naphthalene-2-carboxylic acid CAS Name: 3-(1-adamantyl)-1-[4-(carboxymethyloxy)phenyl]-2-naphthalenecarboxylic acid IUPAC Name: 3-(1-adamantyl)-1-[4-(carboxymethyloxy)phenyl]naphthalene-2-carboxylic acid Traditional Name: 3-(1-adamantyl)-1-[4-(carboxymethyloxy)phenyl]-2-naphthoic acid Formula: C29H28O5 MolecularWeight: 456.52962

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC5=CC=CC=C5C(=C4C(=O)O)C6=CC=C(C=C6)OCC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=CC=CC=C5C(=C4C(=O)O)C6=CC=C(C=C6)OCC(=O)O

InChI

InChI=1S/C29H28O5/c30-25(31)16-34-22-7-5-20(6-8-22)26-23-4-2-1-3-21(23)12-24(27(26)28(32)33)29-13-17-9-18(14-29)11-19(10-17)15-29/h1-8,12,17-19H,9-11,13-16H2,(H,30,31)(H,32,33)