3-[2-methoxy-5-(1-oxidanylideneisochromen-3-yl)phenyl]propanoic acid

Systemtic Name: 3-[2-methoxy-5-(1-oxidanylideneisochromen-3-yl)phenyl]propanoic acid Openeye Name: 3-[2-methoxy-5-(1-oxoisochromen-3-yl)phenyl]propanoic acid CAS Name: 3-[2-methoxy-5-(1-oxo-2-benzopyran-3-yl)phenyl]propanoic acid IUPAC Name: 3-[2-methoxy-5-(1-oxoisochromen-3-yl)phenyl]propanoic acid Traditional Name: 3-[5-(1-ketoisochromen-3-yl)-2-methoxy-phenyl]propionic acid Formula: C19H16O5 MolecularWeight: 324.32734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3C(=O)O2)CCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3C(=O)O2)CCC(=O)O

InChI

InChI=1S/C19H16O5/c1-23-16-8-6-14(10-13(16)7-9-18(20)21)17-11-12-4-2-3-5-15(12)19(22)24-17/h2-6,8,10-11H,7,9H2,1H3,(H,20,21)