(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-(8-methyl-4-oxo-quinazolin-3-yl)butanoate CAS Name: 4-(8-methyl-4-oxo-3-quinazolinyl)butanoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-(8-methyl-4-oxoquinazolin-3-yl)butanoate Traditional Name: 4-(4-keto-8-methyl-quinazolin-3-yl)butyric acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C23H23ClN2O5 MolecularWeight: 442.89212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)OCC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)OCC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C23H23ClN2O5/c1-15-5-2-6-17-21(15)25-14-26(23(17)28)8-3-7-20(27)31-13-16-11-18(24)22-19(12-16)29-9-4-10-30-22/h2,5-6,11-12,14H,3-4,7-10,13H2,1H3