methyl 2-(1-adamantylcarbonylamino)-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-(1-adamantylcarbonylamino)-4,5-dimethoxy-benzoate Openeye Name: methyl 2-(adamantane-1-carbonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-(adamantane-1-carbonylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(adamantane-1-carbonylamino)-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO5/c1-25-17-7-15(19(23)27-3)16(8-18(17)26-2)22-20(24)21-9-12-4-13(10-21)6-14(5-12)11-21/h7-8,12-14H,4-6,9-11H2,1-3H3,(H,22,24)