(2S)-4-(1,3-benzodioxol-5-yl)-2-(methoxycarbonylamino)butanoic acid

Systemtic Name: (2S)-4-(1,3-benzodioxol-5-yl)-2-(methoxycarbonylamino)butanoic acid Openeye Name: (2S)-4-(1,3-benzodioxol-5-yl)-2-(methoxycarbonylamino)butanoic acid CAS Name: (2S)-4-(1,3-benzodioxol-5-yl)-2-(methoxycarbonylamino)butanoic acid IUPAC Name: (2S)-4-(1,3-benzodioxol-5-yl)-2-(methoxycarbonylamino)butanoic acid Traditional Name: (2S)-4-(1,3-benzodioxol-5-yl)-2-(carbomethoxyamino)butyric acid Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(CCC1=CC2=C(C=C1)OCO2)C(=O)O

Isomeric SMILES

COC(=O)N[C@@H](CCC1=CC2=C(C=C1)OCO2)C(=O)O

InChI

InChI=1S/C13H15NO6/c1-18-13(17)14-9(12(15)16)4-2-8-3-5-10-11(6-8)20-7-19-10/h3,5-6,9H,2,4,7H2,1H3,(H,14,17)(H,15,16)/t9-/m0/s1