[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid [2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2-furoylamino)-3-methyl-butyric acid [2-keto-2-(4-pyrrolidinoanilino)ethyl] ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=C(C=C1)N2CCCC2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)N2CCCC2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C22H27N3O5/c1-15(2)20(24-21(27)18-6-5-13-29-18)22(28)30-14-19(26)23-16-7-9-17(10-8-16)25-11-3-4-12-25/h5-10,13,15,20H,3-4,11-12,14H2,1-2H3,(H,23,26)(H,24,27)/t20-/m0/s1