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

Systemtic Name: methyl 4-[[(1S)-2-(cyclopentylamino)-2-oxidanylidene-1-phenyl-ethyl]-(furan-2-ylcarbonyl)amino]benzoate Openeye Name: methyl 4-[[(1S)-2-(cyclopentylamino)-2-oxo-1-phenyl-ethyl]-(furan-2-carbonyl)amino]benzoate CAS Name: 4-[[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-[2-furanyl(oxo)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-(furan-2-carbonyl)amino]benzoate Traditional Name: 4-[[(1S)-2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-(2-furoyl)amino]benzoic acid methyl ester Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N([C@@H](C2=CC=CC=C2)C(=O)NC3CCCC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C26H26N2O5/c1-32-26(31)19-13-15-21(16-14-19)28(25(30)22-12-7-17-33-22)23(18-8-3-2-4-9-18)24(29)27-20-10-5-6-11-20/h2-4,7-9,12-17,20,23H,5-6,10-11H2,1H3,(H,27,29)/t23-/m0/s1