methyl (3S)-3-(1,3-benzodioxol-5-yl)-3-formamido-propanoate

Systemtic Name: methyl (3S)-3-(1,3-benzodioxol-5-yl)-3-formamido-propanoate Openeye Name: methyl (3S)-3-(1,3-benzodioxol-5-yl)-3-formamido-propanoate CAS Name: (3S)-3-(1,3-benzodioxol-5-yl)-3-formamidopropanoic acid methyl ester IUPAC Name: methyl (3S)-3-(1,3-benzodioxol-5-yl)-3-formamidopropanoate Traditional Name: (3S)-3-(1,3-benzodioxol-5-yl)-3-formamido-propionic acid methyl ester Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c1-16-12(15)5-9(13-6-14)8-2-3-10-11(4-8)18-7-17-10/h2-4,6,9H,5,7H2,1H3,(H,13,14)/t9-/m0/s1