4-[7-(1-adamantyl)-6-phenylmethoxycarbonyl-naphthalen-2-yl]benzoic acid

Systemtic Name: 4-[7-(1-adamantyl)-6-phenylmethoxycarbonyl-naphthalen-2-yl]benzoic acid Openeye Name: 4-[7-(1-adamantyl)-6-benzyloxycarbonyl-2-naphthyl]benzoic acid CAS Name: 4-[7-(1-adamantyl)-6-phenylmethoxycarbonyl-2-naphthalenyl]benzoic acid IUPAC Name: 4-[7-(1-adamantyl)-6-phenylmethoxycarbonylnaphthalen-2-yl]benzoic acid Traditional Name: 4-[7-(1-adamantyl)-6-carbobenzoxy-2-naphthyl]benzoic acid Formula: C35H32O4 MolecularWeight: 516.62618

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC(=CC5=C4)C6=CC=C(C=C6)C(=O)O)C(=O)OCC7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC(=CC5=C4)C6=CC=C(C=C6)C(=O)O)C(=O)OCC7=CC=CC=C7

InChI

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