[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)COC(=O)CCC3=NC(=O)C4=CC=CC=C4N3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)COC(=O)CCC3=NC(=O)C4=CC=CC=C4N3)OC1

InChI

InChI=1S/C22H20N2O6/c25-17(14-6-7-18-19(12-14)29-11-3-10-28-18)13-30-21(26)9-8-20-23-16-5-2-1-4-15(16)22(27)24-20/h1-2,4-7,12H,3,8-11,13H2,(H,23,24,27)