dimethyl 5-[5-[[1-(1-adamantyl)ethylamino]methyl]furan-2-yl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[5-[[1-(1-adamantyl)ethylamino]methyl]furan-2-yl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[5-[[1-(1-adamantyl)ethylamino]methyl]-2-furyl]benzene-1,3-dicarboxylate CAS Name: 5-[5-[[1-(1-adamantyl)ethylamino]methyl]-2-furanyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[5-[[1-(1-adamantyl)ethylamino]methyl]furan-2-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[5-[[1-(1-adamantyl)ethylamino]methyl]-2-furyl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C27H33NO5 MolecularWeight: 451.55462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NCC4=CC=C(O4)C5=CC(=CC(=C5)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NCC4=CC=C(O4)C5=CC(=CC(=C5)C(=O)OC)C(=O)OC

InChI

InChI=1S/C27H33NO5/c1-16(27-12-17-6-18(13-27)8-19(7-17)14-27)28-15-23-4-5-24(33-23)20-9-21(25(29)31-2)11-22(10-20)26(30)32-3/h4-5,9-11,16-19,28H,6-8,12-15H2,1-3H3