5-[(3aS,7aS)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-2-morpholin-4-yl-benzoic acid

Systemtic Name: 5-[(3aS,7aS)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-2-morpholin-4-yl-benzoic acid Openeye Name: 5-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-2-morpholino-benzoic acid CAS Name: 5-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-2-(4-morpholinyl)benzoic acid IUPAC Name: 5-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-2-morpholin-4-ylbenzoic acid Traditional Name: 5-[(3aS,7aS)-1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-2-morpholino-benzoic acid Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3)N4CCOCC4)C(=O)O

Isomeric SMILES

C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)C3=CC(=C(C=C3)N4CCOCC4)C(=O)O

InChI

InChI=1S/C19H22N2O5/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/h5-6,11,13-14H,1-4,7-10H2,(H,24,25)/t13-,14-/m0/s1