4-[3-(4-methoxycarbonylphenyl)-1-adamantyl]benzoic acid

Systemtic Name: 4-[3-(4-methoxycarbonylphenyl)-1-adamantyl]benzoic acid Openeye Name: 4-[3-(4-methoxycarbonylphenyl)-1-adamantyl]benzoic acid CAS Name: 4-[3-(4-methoxycarbonylphenyl)-1-adamantyl]benzoic acid IUPAC Name: 4-[3-(4-methoxycarbonylphenyl)-1-adamantyl]benzoic acid Traditional Name: 4-[3-(4-carbomethoxyphenyl)-1-adamantyl]benzoic acid Formula: C25H26O4 MolecularWeight: 390.47154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C25H26O4/c1-29-23(28)19-4-8-21(9-5-19)25-13-16-10-17(14-25)12-24(11-16,15-25)20-6-2-18(3-7-20)22(26)27/h2-9,16-17H,10-15H2,1H3,(H,26,27)