4-[1,3-benzodioxol-5-ylmethyl-[(2S)-butan-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[1,3-benzodioxol-5-ylmethyl-[(2S)-butan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[1,3-benzodioxol-5-ylmethyl-[(1S)-1-methylpropyl]amino]-4-oxo-butanoate CAS Name: 4-[1,3-benzodioxol-5-ylmethyl-[(2S)-butan-2-yl]amino]-4-oxobutanoate IUPAC Name: 4-[1,3-benzodioxol-5-ylmethyl-[(2S)-butan-2-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[(1S)-1-methylpropyl]-piperonyl-amino]butyrate Formula: C16H20NO5- MolecularWeight: 306.3337

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC2=C(C=C1)OCO2)C(=O)CCC(=O)[O-]

Isomeric SMILES

CC[C@H](C)N(CC1=CC2=C(C=C1)OCO2)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C16H21NO5/c1-3-11(2)17(15(18)6-7-16(19)20)9-12-4-5-13-14(8-12)22-10-21-13/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,19,20)/p-1/t11-/m0/s1