(2S)-3-methyl-2-[[4-(pyrrolidin-1-ylmethoxy)phenyl]carbonylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[[4-(pyrrolidin-1-ylmethoxy)phenyl]carbonylamino]butanoate Openeye Name: (2S)-3-methyl-2-[[4-(pyrrolidin-1-ylmethoxy)benzoyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[oxo-[4-(1-pyrrolidinylmethoxy)phenyl]methyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[4-(pyrrolidin-1-ylmethoxy)benzoyl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[4-(pyrrolidinomethoxy)benzoyl]amino]butyrate Formula: C17H23N2O4- MolecularWeight: 319.37552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C1=CC=C(C=C1)OCN2CCCC2

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)C1=CC=C(C=C1)OCN2CCCC2

InChI

InChI=1S/C17H24N2O4/c1-12(2)15(17(21)22)18-16(20)13-5-7-14(8-6-13)23-11-19-9-3-4-10-19/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,18,20)(H,21,22)/p-1/t15-/m0/s1