dimethyl 2-[6-[3-(1-adamantyl)-4-(hydroxymethyl)phenyl]naphthalen-2-yl]propanedioate

Systemtic Name: dimethyl 2-[6-[3-(1-adamantyl)-4-(hydroxymethyl)phenyl]naphthalen-2-yl]propanedioate Openeye Name: dimethyl 2-[6-[3-(1-adamantyl)-4-(hydroxymethyl)phenyl]-2-naphthyl]propanedioate CAS Name: 2-[6-[3-(1-adamantyl)-4-(hydroxymethyl)phenyl]-2-naphthalenyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[6-[3-(1-adamantyl)-4-(hydroxymethyl)phenyl]naphthalen-2-yl]propanedioate Traditional Name: 2-[6-[3-(1-adamantyl)-4-methylol-phenyl]-2-naphthyl]malonic acid dimethyl ester Formula: C32H34O5 MolecularWeight: 498.60936

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC2=C(C=C1)C=C(C=C2)C3=CC(=C(C=C3)CO)C45CC6CC(C4)CC(C6)C5)C(=O)OC

Isomeric SMILES

COC(=O)C(C1=CC2=C(C=C1)C=C(C=C2)C3=CC(=C(C=C3)CO)C45CC6CC(C4)CC(C6)C5)C(=O)OC

InChI

InChI=1S/C32H34O5/c1-36-30(34)29(31(35)37-2)26-7-5-22-12-23(3-4-24(22)13-26)25-6-8-27(18-33)28(14-25)32-15-19-9-20(16-32)11-21(10-19)17-32/h3-8,12-14,19-21,29,33H,9-11,15-18H2,1-2H3