4-[[(3R)-7-methyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[(3R)-7-methyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonylamino]benzoic acid Openeye Name: 4-[[(3R)-7-methyl-1-oxo-isochromane-3-carbonyl]amino]benzoic acid CAS Name: 4-[[[(3R)-7-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[(3R)-7-methyl-1-oxo-3,4-dihydroisochromene-3-carbonyl]amino]benzoic acid Traditional Name: 4-[[(3R)-1-keto-7-methyl-isochroman-3-carbonyl]amino]benzoic acid Formula: C18H15NO5 MolecularWeight: 325.3154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO5/c1-10-2-3-12-9-15(24-18(23)14(12)8-10)16(20)19-13-6-4-11(5-7-13)17(21)22/h2-8,15H,9H2,1H3,(H,19,20)(H,21,22)/t15-/m1/s1