methyl 4-[[2-(cyclopentylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl]-(furan-2-ylcarbonyl)amino]benzoate

Systemtic Name: methyl 4-[[2-(cyclopentylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl]-(furan-2-ylcarbonyl)amino]benzoate Openeye Name: methyl 4-[[2-(cyclopentylamino)-2-oxo-1-(4-pyridyl)ethyl]-(furan-2-carbonyl)amino]benzoate CAS Name: 4-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-[2-furanyl(oxo)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-carbonyl)amino]benzoate Traditional Name: 4-[[2-(cyclopentylamino)-2-keto-1-(4-pyridyl)ethyl]-(2-furoyl)amino]benzoic acid methyl ester Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N(C(C2=CC=NC=C2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N(C(C2=CC=NC=C2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C25H25N3O5/c1-32-25(31)18-8-10-20(11-9-18)28(24(30)21-7-4-16-33-21)22(17-12-14-26-15-13-17)23(29)27-19-5-2-3-6-19/h4,7-16,19,22H,2-3,5-6H2,1H3,(H,27,29)