2-(1-adamantyl)-4-(6-methoxycarbonylnaphthalen-2-yl)benzoic acid

Systemtic Name: 2-(1-adamantyl)-4-(6-methoxycarbonylnaphthalen-2-yl)benzoic acid Openeye Name: 2-(1-adamantyl)-4-(6-methoxycarbonyl-2-naphthyl)benzoic acid CAS Name: 2-(1-adamantyl)-4-(6-methoxycarbonyl-2-naphthalenyl)benzoic acid IUPAC Name: 2-(1-adamantyl)-4-(6-methoxycarbonylnaphthalen-2-yl)benzoic acid Traditional Name: 2-(1-adamantyl)-4-(6-carbomethoxy-2-naphthyl)benzoic acid Formula: C29H28O4 MolecularWeight: 440.53022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3=CC(=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3=CC(=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H28O4/c1-33-28(32)24-5-4-20-11-21(2-3-22(20)12-24)23-6-7-25(27(30)31)26(13-23)29-14-17-8-18(15-29)10-19(9-17)16-29/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,30,31)