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

Systemtic Name: [3-(1-adamantyl)-4-(oxiran-2-ylmethyl)phenyl] naphthalene-2-carboxylate Openeye Name: [3-(1-adamantyl)-4-(oxiran-2-ylmethyl)phenyl] naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic acid [3-(1-adamantyl)-4-(2-oxiranylmethyl)phenyl] ester IUPAC Name: [3-(1-adamantyl)-4-(oxiran-2-ylmethyl)phenyl] naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid [3-(1-adamantyl)-4-glycidyl-phenyl] ester Formula: C30H30O3 MolecularWeight: 438.5574

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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)CC7CO7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)OC(=O)C5=CC6=CC=CC=C6C=C5)CC7CO7

InChI

InChI=1S/C30H30O3/c31-29(25-6-5-22-3-1-2-4-23(22)12-25)33-26-8-7-24(13-27-18-32-27)28(14-26)30-15-19-9-20(16-30)11-21(10-19)17-30/h1-8,12,14,19-21,27H,9-11,13,15-18H2