4-[7-(1-adamantyl)-1-phenylmethoxycarbonyl-naphthalen-2-yl]benzoic acid

Systemtic Name: 4-[7-(1-adamantyl)-1-phenylmethoxycarbonyl-naphthalen-2-yl]benzoic acid Openeye Name: 4-[7-(1-adamantyl)-1-benzyloxycarbonyl-2-naphthyl]benzoic acid CAS Name: 4-[7-(1-adamantyl)-1-phenylmethoxycarbonyl-2-naphthalenyl]benzoic acid IUPAC Name: 4-[7-(1-adamantyl)-1-phenylmethoxycarbonylnaphthalen-2-yl]benzoic acid Traditional Name: 4-[7-(1-adamantyl)-1-carbobenzoxy-2-naphthyl]benzoic acid Formula: C35H32O4 MolecularWeight: 516.62618

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)C=CC(=C5C(=O)OCC6=CC=CC=C6)C7=CC=C(C=C7)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)C=CC(=C5C(=O)OCC6=CC=CC=C6)C7=CC=C(C=C7)C(=O)O

InChI

InChI=1S/C35H32O4/c36-33(37)28-8-6-26(7-9-28)30-13-11-27-10-12-29(35-18-23-14-24(19-35)16-25(15-23)20-35)17-31(27)32(30)34(38)39-21-22-4-2-1-3-5-22/h1-13,17,23-25H,14-16,18-21H2,(H,36,37)