2-[3-(1-adamantyl)-4-methoxy-phenyl]carbonyloxy-5-phenylmethoxycarbonyl-benzoic acid

Systemtic Name: 2-[3-(1-adamantyl)-4-methoxy-phenyl]carbonyloxy-5-phenylmethoxycarbonyl-benzoic acid Openeye Name: 2-[3-(1-adamantyl)-4-methoxy-benzoyl]oxy-5-benzyloxycarbonyl-benzoic acid CAS Name: 2-[[3-(1-adamantyl)-4-methoxyphenyl]-oxomethoxy]-5-phenylmethoxycarbonylbenzoic acid IUPAC Name: 2-[3-(1-adamantyl)-4-methoxybenzoyl]oxy-5-phenylmethoxycarbonylbenzoic acid Traditional Name: 2-[3-(1-adamantyl)-4-methoxy-benzoyl]oxy-5-carbobenzoxy-benzoic acid Formula: C33H32O7 MolecularWeight: 540.60298

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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)C(=O)O)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)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C33H32O7/c1-38-29-10-8-25(15-27(29)33-16-21-11-22(17-33)13-23(12-21)18-33)32(37)40-28-9-7-24(14-26(28)30(34)35)31(36)39-19-20-5-3-2-4-6-20/h2-10,14-15,21-23H,11-13,16-19H2,1H3,(H,34,35)