4-[[3-(1-adamantyl)-4-methoxycarbonyl-phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[3-(1-adamantyl)-4-methoxycarbonyl-phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[3-(1-adamantyl)-4-methoxycarbonyl-benzoyl]amino]benzoic acid CAS Name: 4-[[[3-(1-adamantyl)-4-methoxycarbonylphenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-(1-adamantyl)-4-methoxycarbonylbenzoyl]amino]benzoic acid Traditional Name: 4-[[3-(1-adamantyl)-4-carbomethoxy-benzoyl]amino]benzoic acid Formula: C26H27NO5 MolecularWeight: 433.49628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H27NO5/c1-32-25(31)21-7-4-19(23(28)27-20-5-2-18(3-6-20)24(29)30)11-22(21)26-12-15-8-16(13-26)10-17(9-15)14-26/h2-7,11,15-17H,8-10,12-14H2,1H3,(H,27,28)(H,29,30)