O4-[2-(2-adamantylamino)-2-oxidanylidene-ethyl] O1-methyl benzene-1,4-dicarboxylate

Systemtic Name: O4-[2-(2-adamantylamino)-2-oxidanylidene-ethyl] O1-methyl benzene-1,4-dicarboxylate Openeye Name: O4-[2-(2-adamantylamino)-2-oxo-ethyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-[2-(2-adamantylamino)-2-oxoethyl] ester O1-methyl ester IUPAC Name: 4-O-[2-(2-adamantylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-(2-adamantylamino)-2-keto-ethyl] ester O1-methyl ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2C3CC4CC(C3)CC2C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C21H25NO5/c1-26-20(24)14-2-4-15(5-3-14)21(25)27-11-18(23)22-19-16-7-12-6-13(9-16)10-17(19)8-12/h2-5,12-13,16-17,19H,6-11H2,1H3,(H,22,23)