4-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(isochroman-1-ylmethylamino)-4-oxo-butanoic acid CAS Name: 4-(3,4-dihydro-1H-2-benzopyran-1-ylmethylamino)-4-oxobutanoic acid IUPAC Name: 4-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-4-oxobutanoic acid Traditional Name: 4-(isochroman-1-ylmethylamino)-4-keto-butyric acid Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CNC(=O)CCC(=O)O

Isomeric SMILES

C1COC(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)