4-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(1R)-isochroman-1-yl]methylamino]-4-oxo-butanoate CAS Name: 4-[[(1R)-3,4-dihydro-1H-2-benzopyran-1-yl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methylamino]-4-oxobutanoate Traditional Name: 4-[[(1R)-isochroman-1-yl]methylamino]-4-keto-butyrate Formula: C14H16NO4- MolecularWeight: 262.28114

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CNC(=O)CCC(=O)[O-]

Isomeric SMILES

C1CO[C@H](C2=CC=CC=C21)CNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C14H17NO4/c16-13(5-6-14(17)18)15-9-12-11-4-2-1-3-10(11)7-8-19-12/h1-4,12H,5-9H2,(H,15,16)(H,17,18)/p-1/t12-/m0/s1