(phenylmethyl) 4-[3-(1-adamantyl)-4-methoxy-phenyl]carbonyloxy-3-(hydroxymethyl)benzoate

Systemtic Name: (phenylmethyl) 4-[3-(1-adamantyl)-4-methoxy-phenyl]carbonyloxy-3-(hydroxymethyl)benzoate Openeye Name: benzyl 4-[3-(1-adamantyl)-4-methoxy-benzoyl]oxy-3-(hydroxymethyl)benzoate CAS Name: 4-[[3-(1-adamantyl)-4-methoxyphenyl]-oxomethoxy]-3-(hydroxymethyl)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-(1-adamantyl)-4-methoxybenzoyl]oxy-3-(hydroxymethyl)benzoate Traditional Name: 4-[3-(1-adamantyl)-4-methoxy-benzoyl]oxy-3-methylol-benzoic acid benzyl ester Formula: C33H34O6 MolecularWeight: 526.61946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3)CO)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3)CO)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C33H34O6/c1-37-30-10-8-26(15-28(30)33-16-22-11-23(17-33)13-24(12-22)18-33)32(36)39-29-9-7-25(14-27(29)19-34)31(35)38-20-21-5-3-2-4-6-21/h2-10,14-15,22-24,34H,11-13,16-20H2,1H3