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

Systemtic Name: dimethyl 5-[5-[(cyclooctylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[5-[(cyclooctylamino)methyl]-2-furyl]benzene-1,3-dicarboxylate CAS Name: 5-[5-[(cyclooctylamino)methyl]-2-furanyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[5-[(cyclooctylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[5-[(cyclooctylamino)methyl]-2-furyl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)CNC3CCCCCCC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)CNC3CCCCCCC3)C(=O)OC

InChI

InChI=1S/C23H29NO5/c1-27-22(25)17-12-16(13-18(14-17)23(26)28-2)21-11-10-20(29-21)15-24-19-8-6-4-3-5-7-9-19/h10-14,19,24H,3-9,15H2,1-2H3