5-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-5-oxo-pentanoate CAS Name: 5-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-5-oxopentanoate IUPAC Name: 5-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-5-oxopentanoate Traditional Name: 5-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-5-keto-valerate Formula: C14H16NO5- MolecularWeight: 278.28054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)CCCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5/c1-9(15-13(16)3-2-4-14(17)18)10-5-6-11-12(7-10)20-8-19-11/h5-7,9H,2-4,8H2,1H3,(H,15,16)(H,17,18)/p-1/t9-/m0/s1