2-azanyl-3-[2-(3-chloranyl-1-oxidanylidene-4H-isochromen-3-yl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-(3-chloranyl-1-oxidanylidene-4H-isochromen-3-yl)phenyl]propanoic acid Openeye Name: 2-amino-3-[2-(3-chloro-1-oxo-isochroman-3-yl)phenyl]propanoic acid CAS Name: 2-amino-3-[2-(3-chloro-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[2-(3-chloro-1-oxo-4H-isochromen-3-yl)phenyl]propanoic acid Traditional Name: 2-amino-3-[2-(3-chloro-1-keto-isochroman-3-yl)phenyl]propionic acid Formula: C18H16ClNO4 MolecularWeight: 345.77694

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)OC1(C3=CC=CC=C3CC(C(=O)O)N)Cl

Isomeric SMILES

C1C2=CC=CC=C2C(=O)OC1(C3=CC=CC=C3CC(C(=O)O)N)Cl

InChI

InChI=1S/C18H16ClNO4/c19-18(10-12-6-1-3-7-13(12)17(23)24-18)14-8-4-2-5-11(14)9-15(20)16(21)22/h1-8,15H,9-10,20H2,(H,21,22)