dimethyl 5-[(3-acetamido-1-adamantyl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(3-acetamido-1-adamantyl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(3-acetamidoadamantane-1-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(3-acetamido-1-adamantyl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3-acetamidoadamantane-1-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-acetamidoadamantane-1-carbonyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=CC(=CC(=C4)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=CC(=CC(=C4)C(=O)OC)C(=O)OC

InChI

InChI=1S/C23H28N2O6/c1-13(26)25-23-10-14-4-15(11-23)9-22(8-14,12-23)21(29)24-18-6-16(19(27)30-2)5-17(7-18)20(28)31-3/h5-7,14-15H,4,8-12H2,1-3H3,(H,24,29)(H,25,26)