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

Systemtic Name: O4-[2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] O1-methyl benzene-1,4-dicarboxylate Openeye Name: O4-[2-[1-(1-adamantyl)ethylamino]-2-oxo-ethyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 4-O-[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-[1-(1-adamantyl)ethylamino]-2-keto-ethyl] ester O1-methyl ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H29NO5/c1-14(23-10-15-7-16(11-23)9-17(8-15)12-23)24-20(25)13-29-22(27)19-5-3-18(4-6-19)21(26)28-2/h3-6,14-17H,7-13H2,1-2H3,(H,24,25)