[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 2-(5,6-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(5,6-dimethyl-3-benzofuranyl)acetic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(5,6-dimethylbenzofuran-3-yl)acetic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C23H23NO6 MolecularWeight: 409.43182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)OCC(=O)NC3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)OCC(=O)NC3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C23H23NO6/c1-14-8-18-16(12-29-20(18)9-15(14)2)10-23(26)30-13-22(25)24-17-4-5-19-21(11-17)28-7-3-6-27-19/h4-5,8-9,11-12H,3,6-7,10,13H2,1-2H3,(H,24,25)