dimethyl 5-(1-adamantylcarbonylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(1-adamantylcarbonylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(adamantane-1-carbonylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[1-adamantyl(oxo)methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(adamantane-1-carbonylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(adamantane-1-carbonylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5/c1-26-18(23)15-6-16(19(24)27-2)8-17(7-15)22-20(25)21-9-12-3-13(10-21)5-14(4-12)11-21/h6-8,12-14H,3-5,9-11H2,1-2H3,(H,22,25)