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

Systemtic Name: ethyl 4-[[(1S)-2-(cyclopentylamino)-2-oxidanylidene-1-phenyl-ethyl]-(furan-2-ylcarbonyl)amino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H28N2O5 MolecularWeight: 460.52162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O5/c1-2-33-27(32)20-14-16-22(17-15-20)29(26(31)23-13-8-18-34-23)24(19-9-4-3-5-10-19)25(30)28-21-11-6-7-12-21/h3-5,8-10,13-18,21,24H,2,6-7,11-12H2,1H3,(H,28,30)/t24-/m0/s1