2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]amino]-3-methyl-butyric acid Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC(=O)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)C(C(=O)O)NCC(=O)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C14H18N2O5/c1-8(2)13(14(18)19)15-6-12(17)16-9-3-4-10-11(5-9)21-7-20-10/h3-5,8,13,15H,6-7H2,1-2H3,(H,16,17)(H,18,19)