2-formamido-3-[3-(3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)phenyl]propanoic acid

Systemtic Name: 2-formamido-3-[3-(3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)phenyl]propanoic acid Openeye Name: 2-formamido-3-[3-(8-hydroxy-3-methyl-1-oxo-isochroman-7-yl)phenyl]propanoic acid CAS Name: 2-formamido-3-[3-(8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)phenyl]propanoic acid IUPAC Name: 2-formamido-3-[3-(8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromen-7-yl)phenyl]propanoic acid Traditional Name: 2-formamido-3-[3-(8-hydroxy-1-keto-3-methyl-isochroman-7-yl)phenyl]propionic acid Formula: C20H19NO6 MolecularWeight: 369.36796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C(=C(C=C2)C3=CC(=CC=C3)CC(C(=O)O)NC=O)O)C(=O)O1

Isomeric SMILES

CC1CC2=C(C(=C(C=C2)C3=CC(=CC=C3)CC(C(=O)O)NC=O)O)C(=O)O1

InChI

InChI=1S/C20H19NO6/c1-11-7-14-5-6-15(18(23)17(14)20(26)27-11)13-4-2-3-12(8-13)9-16(19(24)25)21-10-22/h2-6,8,10-11,16,23H,7,9H2,1H3,(H,21,22)(H,24,25)