[7-(1-adamantyl)-6-(2,2-dimethoxyethyl)naphthalen-2-yl] benzoate

Systemtic Name: [7-(1-adamantyl)-6-(2,2-dimethoxyethyl)naphthalen-2-yl] benzoate Openeye Name: [7-(1-adamantyl)-6-(2,2-dimethoxyethyl)-2-naphthyl] benzoate CAS Name: benzoic acid [7-(1-adamantyl)-6-(2,2-dimethoxyethyl)-2-naphthalenyl] ester IUPAC Name: [7-(1-adamantyl)-6-(2,2-dimethoxyethyl)naphthalen-2-yl] benzoate Traditional Name: benzoic acid [7-(1-adamantyl)-6-(2,2-dimethoxyethyl)-2-naphthyl] ester Formula: C31H34O4 MolecularWeight: 470.59926

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=C(C=C2C=C(C=CC2=C1)OC(=O)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5)OC

Isomeric SMILES

COC(CC1=C(C=C2C=C(C=CC2=C1)OC(=O)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5)OC

InChI

InChI=1S/C31H34O4/c1-33-29(34-2)16-26-13-24-8-9-27(35-30(32)23-6-4-3-5-7-23)14-25(24)15-28(26)31-17-20-10-21(18-31)12-22(11-20)19-31/h3-9,13-15,20-22,29H,10-12,16-19H2,1-2H3