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

Systemtic Name: 4-[[(3S)-3-methyl-1-oxidanylidene-4H-isochromen-3-yl]carbonylamino]benzoic acid Openeye Name: 4-[[(3S)-3-methyl-1-oxo-isochromane-3-carbonyl]amino]benzoic acid CAS Name: 4-[[[(3S)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[(3S)-3-methyl-1-oxo-4H-isochromene-3-carbonyl]amino]benzoic acid Traditional Name: 4-[[(3S)-1-keto-3-methyl-isochroman-3-carbonyl]amino]benzoic acid Formula: C18H15NO5 MolecularWeight: 325.3154

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C[C@]1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H15NO5/c1-18(10-12-4-2-3-5-14(12)16(22)24-18)17(23)19-13-8-6-11(7-9-13)15(20)21/h2-9H,10H2,1H3,(H,19,23)(H,20,21)/t18-/m0/s1