4-[[[3-(1-adamantyl)-4-methoxy-phenyl]carbonylamino]methyl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[[3-(1-adamantyl)-4-methoxy-phenyl]carbonylamino]methyl]-2-oxidanyl-benzoic acid Openeye Name: 4-[[[3-(1-adamantyl)-4-methoxy-benzoyl]amino]methyl]-2-hydroxy-benzoic acid CAS Name: 4-[[[[3-(1-adamantyl)-4-methoxyphenyl]-oxomethyl]amino]methyl]-2-hydroxybenzoic acid IUPAC Name: 4-[[[3-(1-adamantyl)-4-methoxybenzoyl]amino]methyl]-2-hydroxybenzoic acid Traditional Name: 4-[[[3-(1-adamantyl)-4-methoxy-benzoyl]amino]methyl]-2-hydroxy-benzoic acid Formula: C26H29NO5 MolecularWeight: 435.51216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2=CC(=C(C=C2)C(=O)O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=CC(=C(C=C2)C(=O)O)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H29NO5/c1-32-23-5-3-19(24(29)27-14-15-2-4-20(25(30)31)22(28)9-15)10-21(23)26-11-16-6-17(12-26)8-18(7-16)13-26/h2-5,9-10,16-18,28H,6-8,11-14H2,1H3,(H,27,29)(H,30,31)