(phenylmethyl) 6-[3-(1-adamantyl)-4-(oxiran-2-ylmethyl)phenyl]naphthalene-2-carboxylate

Systemtic Name: (phenylmethyl) 6-[3-(1-adamantyl)-4-(oxiran-2-ylmethyl)phenyl]naphthalene-2-carboxylate Openeye Name: benzyl 6-[3-(1-adamantyl)-4-(oxiran-2-ylmethyl)phenyl]naphthalene-2-carboxylate CAS Name: 6-[3-(1-adamantyl)-4-(2-oxiranylmethyl)phenyl]-2-naphthalenecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[3-(1-adamantyl)-4-(oxiran-2-ylmethyl)phenyl]naphthalene-2-carboxylate Traditional Name: 6-[3-(1-adamantyl)-4-glycidyl-phenyl]naphthalene-2-carboxylic acid benzyl ester Formula: C37H36O3 MolecularWeight: 528.67994

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)OCC7=CC=CC=C7)CC8CO8

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)OCC7=CC=CC=C7)CC8CO8

InChI

InChI=1S/C37H36O3/c38-36(40-22-24-4-2-1-3-5-24)33-11-9-28-15-29(6-7-30(28)16-33)31-8-10-32(17-34-23-39-34)35(18-31)37-19-25-12-26(20-37)14-27(13-25)21-37/h1-11,15-16,18,25-27,34H,12-14,17,19-23H2