3-(3'-azanylspiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl)-3H-2-benzofuran-1-one

Systemtic Name: 3-(3'-azanylspiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl)-3H-2-benzofuran-1-one Openeye Name: 3-(3'-aminospiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl)-3H-isobenzofuran-1-one CAS Name: 3-(3'-amino-5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)-3H-isobenzofuran-1-one IUPAC Name: 3-(3'-aminospiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl)-3H-2-benzofuran-1-one Traditional Name: 3-(3'-aminospiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl)phthalide Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC2(C1)OC3=C(O2)C=C(C=C3)C4C5=CC=CC=C5C(=O)O4)N

Isomeric SMILES

C1CC(CC2(C1)OC3=C(O2)C=C(C=C3)C4C5=CC=CC=C5C(=O)O4)N

InChI

InChI=1S/C20H19NO4/c21-13-4-3-9-20(11-13)24-16-8-7-12(10-17(16)25-20)18-14-5-1-2-6-15(14)19(22)23-18/h1-2,5-8,10,13,18H,3-4,9,11,21H2