(4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: 2-(2-furoylamino)-3-methyl-butyric acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)C(=O)N2CCCC2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=C(C=C1)C(=O)N2CCCC2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C22H26N2O5/c1-15(2)19(23-20(25)18-6-5-13-28-18)22(27)29-14-16-7-9-17(10-8-16)21(26)24-11-3-4-12-24/h5-10,13,15,19H,3-4,11-12,14H2,1-2H3,(H,23,25)