3-[[4-(1-adamantyl)-3-methoxy-phenyl]methoxy]-2-(3-carboxyphenyl)benzoic acid

Systemtic Name: 3-[[4-(1-adamantyl)-3-methoxy-phenyl]methoxy]-2-(3-carboxyphenyl)benzoic acid Openeye Name: 3-[[4-(1-adamantyl)-3-methoxy-phenyl]methoxy]-2-(3-carboxyphenyl)benzoic acid CAS Name: 3-[[4-(1-adamantyl)-3-methoxyphenyl]methoxy]-2-(3-carboxyphenyl)benzoic acid IUPAC Name: 3-[[4-(1-adamantyl)-3-methoxyphenyl]methoxy]-2-(3-carboxyphenyl)benzoic acid Traditional Name: 3-[4-(1-adamantyl)-3-methoxy-benzyl]oxy-2-(3-carboxyphenyl)benzoic acid Formula: C32H32O6 MolecularWeight: 512.59288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)COC2=CC=CC(=C2C3=CC(=CC=C3)C(=O)O)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=CC(=C1)COC2=CC=CC(=C2C3=CC(=CC=C3)C(=O)O)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C32H32O6/c1-37-28-13-19(8-9-26(28)32-15-20-10-21(16-32)12-22(11-20)17-32)18-38-27-7-3-6-25(31(35)36)29(27)23-4-2-5-24(14-23)30(33)34/h2-9,13-14,20-22H,10-12,15-18H2,1H3,(H,33,34)(H,35,36)