4-[[(3S)-3,7-dimethyl-1-oxidanylidene-4H-isochromen-3-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[(3S)-3,7-dimethyl-1-oxidanylidene-4H-isochromen-3-yl]carbonylamino]benzoic acid Openeye Name: 4-[[(3S)-3,7-dimethyl-1-oxo-isochromane-3-carbonyl]amino]benzoic acid CAS Name: 4-[[[(3S)-3,7-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[(3S)-3,7-dimethyl-1-oxo-4H-isochromene-3-carbonyl]amino]benzoic acid Traditional Name: 4-[[(3S)-1-keto-3,7-dimethyl-isochroman-3-carbonyl]amino]benzoic acid Formula: C19H17NO5 MolecularWeight: 339.34198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(OC2=O)(C)C(=O)NC3=CC=C(C=C3)C(=O)O)C=C1

Isomeric SMILES

CC1=CC2=C(C[C@@](OC2=O)(C)C(=O)NC3=CC=C(C=C3)C(=O)O)C=C1

InChI

InChI=1S/C19H17NO5/c1-11-3-4-13-10-19(2,25-17(23)15(13)9-11)18(24)20-14-7-5-12(6-8-14)16(21)22/h3-9H,10H2,1-2H3,(H,20,24)(H,21,22)/t19-/m0/s1