2-(1-adamantylcarbonylamino)-4,5-dimethoxy-benzoic acid

Systemtic Name: 2-(1-adamantylcarbonylamino)-4,5-dimethoxy-benzoic acid Openeye Name: 2-(adamantane-1-carbonylamino)-4,5-dimethoxy-benzoic acid CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-4,5-dimethoxybenzoic acid IUPAC Name: 2-(adamantane-1-carbonylamino)-4,5-dimethoxybenzoic acid Traditional Name: 2-(adamantane-1-carbonylamino)-4,5-dimethoxy-benzoic acid Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)C23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)C23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C20H25NO5/c1-25-16-6-14(18(22)23)15(7-17(16)26-2)21-19(24)20-8-11-3-12(9-20)5-13(4-11)10-20/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,21,24)(H,22,23)