[2-[7-(dimethylamino)-3,3-dimethyl-2H-1-benzofuran-5-yl]-2-oxidanylidene-ethyl] 2-(3-azanyl-6-ethoxy-1H-isoindol-5-yl)ethanoate

Systemtic Name: [2-[7-(dimethylamino)-3,3-dimethyl-2H-1-benzofuran-5-yl]-2-oxidanylidene-ethyl] 2-(3-azanyl-6-ethoxy-1H-isoindol-5-yl)ethanoate Openeye Name: [2-[7-(dimethylamino)-3,3-dimethyl-2H-benzofuran-5-yl]-2-oxo-ethyl] 2-(3-amino-6-ethoxy-1H-isoindol-5-yl)acetate CAS Name: 2-(3-amino-6-ethoxy-1H-isoindol-5-yl)acetic acid [2-[7-(dimethylamino)-3,3-dimethyl-2H-benzofuran-5-yl]-2-oxoethyl] ester IUPAC Name: [2-[7-(dimethylamino)-3,3-dimethyl-2H-1-benzofuran-5-yl]-2-oxoethyl] 2-(3-amino-6-ethoxy-1H-isoindol-5-yl)acetate Traditional Name: 2-(3-amino-6-ethoxy-1H-isoindol-5-yl)acetic acid [2-[7-(dimethylamino)-3,3-dimethyl-coumaran-5-yl]-2-keto-ethyl] ester Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CN=C2N)CC(=O)OCC(=O)C3=CC4=C(C(=C3)N(C)C)OCC4(C)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CN=C2N)CC(=O)OCC(=O)C3=CC4=C(C(=C3)N(C)C)OCC4(C)C

InChI

InChI=1S/C26H31N3O5/c1-6-32-22-10-17-12-28-25(27)18(17)7-16(22)11-23(31)33-13-21(30)15-8-19-24(20(9-15)29(4)5)34-14-26(19,2)3/h7-10H,6,11-14H2,1-5H3,(H2,27,28)