dimethyl 5-(2-adamantylcarbamoylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(2-adamantylcarbamoylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(2-adamantylcarbamoylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(2-adamantylamino)-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(2-adamantylcarbamoylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(2-adamantylcarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)NC2C3CC4CC(C3)CC2C4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)NC2C3CC4CC(C3)CC2C4)C(=O)OC

InChI

InChI=1S/C21H26N2O5/c1-27-19(24)15-8-16(20(25)28-2)10-17(9-15)22-21(26)23-18-13-4-11-3-12(6-13)7-14(18)5-11/h8-14,18H,3-7H2,1-2H3,(H2,22,23,26)