4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(propan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(propan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(isopropyl)amino]-4-oxo-butanoic acid CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(propan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(propan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(isopropyl)amino]-4-keto-butyric acid Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC2=C(C=C1)OCCO2)C(=O)CCC(=O)O

Isomeric SMILES

CC(C)N(CC1=CC2=C(C=C1)OCCO2)C(=O)CCC(=O)O

InChI

InChI=1S/C16H21NO5/c1-11(2)17(15(18)5-6-16(19)20)10-12-3-4-13-14(9-12)22-8-7-21-13/h3-4,9,11H,5-8,10H2,1-2H3,(H,19,20)