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

Systemtic Name: dimethyl 5-[5-[(1-adamantylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[5-[(1-adamantylamino)methyl]-2-furyl]benzene-1,3-dicarboxylate CAS Name: 5-[5-[(1-adamantylamino)methyl]-2-furanyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[5-[(1-adamantylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[5-[(1-adamantylamino)methyl]-2-furyl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)CNC34CC5CC(C3)CC(C5)C4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)CNC34CC5CC(C3)CC(C5)C4)C(=O)OC

InChI

InChI=1S/C25H29NO5/c1-29-23(27)19-8-18(9-20(10-19)24(28)30-2)22-4-3-21(31-22)14-26-25-11-15-5-16(12-25)7-17(6-15)13-25/h3-4,8-10,15-17,26H,5-7,11-14H2,1-2H3