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

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

CC12CC3CC(C1)(CC(C3)(C2)NCC4=CC=C(O4)C5=CC(=CC(=C5)C(=O)OC)C(=O)OC)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)NCC4=CC=C(O4)C5=CC(=CC(=C5)C(=O)OC)C(=O)OC)C

InChI

InChI=1S/C27H33NO5/c1-25-10-17-11-26(2,14-25)16-27(12-17,15-25)28-13-21-5-6-22(33-21)18-7-19(23(29)31-3)9-20(8-18)24(30)32-4/h5-9,17,28H,10-16H2,1-4H3