[3-(1-adamantyl)-4-(3-oxidanylpropyl)phenyl] naphthalene-2-carboxylate

Systemtic Name: [3-(1-adamantyl)-4-(3-oxidanylpropyl)phenyl] naphthalene-2-carboxylate Openeye Name: [3-(1-adamantyl)-4-(3-hydroxypropyl)phenyl] naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic acid [3-(1-adamantyl)-4-(3-hydroxypropyl)phenyl] ester IUPAC Name: [3-(1-adamantyl)-4-(3-hydroxypropyl)phenyl] naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid [3-(1-adamantyl)-4-(3-hydroxypropyl)phenyl] ester Formula: C30H32O3 MolecularWeight: 440.57328

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)OC(=O)C5=CC6=CC=CC=C6C=C5)CCCO

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)OC(=O)C5=CC6=CC=CC=C6C=C5)CCCO

InChI

InChI=1S/C30H32O3/c31-11-3-6-24-9-10-27(33-29(32)26-8-7-23-4-1-2-5-25(23)15-26)16-28(24)30-17-20-12-21(18-30)14-22(13-20)19-30/h1-2,4-5,7-10,15-16,20-22,31H,3,6,11-14,17-19H2