[7-(1-adamantyl)-6-(3,3-dimethoxypropyl)naphthalen-2-yl] benzoate

Systemtic Name: [7-(1-adamantyl)-6-(3,3-dimethoxypropyl)naphthalen-2-yl] benzoate Openeye Name: [7-(1-adamantyl)-6-(3,3-dimethoxypropyl)-2-naphthyl] benzoate CAS Name: benzoic acid [7-(1-adamantyl)-6-(3,3-dimethoxypropyl)-2-naphthalenyl] ester IUPAC Name: [7-(1-adamantyl)-6-(3,3-dimethoxypropyl)naphthalen-2-yl] benzoate Traditional Name: benzoic acid [7-(1-adamantyl)-6-(3,3-dimethoxypropyl)-2-naphthyl] ester Formula: C32H36O4 MolecularWeight: 484.62584

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Descriptors Computed from Structure

Canonical SMILES:

COC(CCC1=C(C=C2C=C(C=CC2=C1)OC(=O)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5)OC

Isomeric SMILES

COC(CCC1=C(C=C2C=C(C=CC2=C1)OC(=O)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5)OC

InChI

InChI=1S/C32H36O4/c1-34-30(35-2)11-9-26-15-25-8-10-28(36-31(33)24-6-4-3-5-7-24)16-27(25)17-29(26)32-18-21-12-22(19-32)14-23(13-21)20-32/h3-8,10,15-17,21-23,30H,9,11-14,18-20H2,1-2H3