5-[(3aS,7aS)-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]-2-morpholin-4-yl-benzoic acid

Systemtic Name: 5-[(3aS,7aS)-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]-2-morpholin-4-yl-benzoic acid Openeye Name: 5-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-2-morpholino-benzoic acid CAS Name: 5-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-2-(4-morpholinyl)benzoic acid IUPAC Name: 5-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-2-morpholin-4-ylbenzoic acid Traditional Name: 5-[(3aS,7aS)-1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl]-2-morpholino-benzoic acid Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)N3C(=O)C4CC=CCC4C3=O)C(=O)O

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C(=O)O

InChI

InChI=1S/C19H20N2O5/c22-17-13-3-1-2-4-14(13)18(23)21(17)12-5-6-16(15(11-12)19(24)25)20-7-9-26-10-8-20/h1-2,5-6,11,13-14H,3-4,7-10H2,(H,24,25)/t13-,14-/m0/s1