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

Systemtic Name: 4-[7-(1-adamantyl)-6-methoxycarbonyl-naphthalen-2-yl]benzoic acid Openeye Name: 4-[7-(1-adamantyl)-6-methoxycarbonyl-2-naphthyl]benzoic acid CAS Name: 4-[7-(1-adamantyl)-6-methoxycarbonyl-2-naphthalenyl]benzoic acid IUPAC Name: 4-[7-(1-adamantyl)-6-methoxycarbonylnaphthalen-2-yl]benzoic acid Traditional Name: 4-[7-(1-adamantyl)-6-carbomethoxy-2-naphthyl]benzoic acid Formula: C29H28O4 MolecularWeight: 440.53022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)C1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H28O4/c1-33-28(32)25-12-23-7-6-22(20-2-4-21(5-3-20)27(30)31)11-24(23)13-26(25)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)