2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-6-propyl-chromen-7-yl]morpholine-4-carboxylate

Systemtic Name: 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-6-propyl-chromen-7-yl]morpholine-4-carboxylate Openeye Name: 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-chromen-7-yl]morpholine-4-carboxylate CAS Name: 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-1-benzopyran-7-yl]-4-morpholinecarboxylate IUPAC Name: 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propylchromen-7-yl]morpholine-4-carboxylate Traditional Name: 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-6-propyl-chromen-7-yl]morpholine-4-carboxylate Formula: C26H26NO7- MolecularWeight: 464.48714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)C5CN(CCO5)C(=O)[O-]

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)C5CN(CCO5)C(=O)[O-]

InChI

InChI=1S/C26H27NO7/c1-2-4-16-11-19-22(13-18(16)24-14-27(26(29)30)7-10-33-24)34-15-20(25(19)28)17-5-6-21-23(12-17)32-9-3-8-31-21/h5-6,11-13,15,24H,2-4,7-10,14H2,1H3,(H,29,30)/p-1