methyl 3-[(1-adamantylcarbonylamino)methyl]-5-(furan-2-ylcarbonylamino)benzoate

Systemtic Name: methyl 3-[(1-adamantylcarbonylamino)methyl]-5-(furan-2-ylcarbonylamino)benzoate Openeye Name: methyl 3-[(adamantane-1-carbonylamino)methyl]-5-(furan-2-carbonylamino)benzoate CAS Name: 3-[[[1-adamantyl(oxo)methyl]amino]methyl]-5-[[2-furanyl(oxo)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(adamantane-1-carbonylamino)methyl]-5-(furan-2-carbonylamino)benzoate Traditional Name: 3-[(adamantane-1-carbonylamino)methyl]-5-(2-furoylamino)benzoic acid methyl ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H28N2O5/c1-31-23(29)19-8-18(9-20(10-19)27-22(28)21-3-2-4-32-21)14-26-24(30)25-11-15-5-16(12-25)7-17(6-15)13-25/h2-4,8-10,15-17H,5-7,11-14H2,1H3,(H,26,30)(H,27,28)