(7-ethanoylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methyl 3-(4-oxidanylidenequinazolin-3-yl)propanoate

Systemtic Name: (7-ethanoylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methyl 3-(4-oxidanylidenequinazolin-3-yl)propanoate Openeye Name: (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl 3-(4-oxoquinazolin-3-yl)propanoate CAS Name: 3-(4-oxo-3-quinazolinyl)propanoic acid (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydro-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl 3-(4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-ketoquinazolin-3-yl)propionic acid (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl ester Formula: C23H23N3O6 MolecularWeight: 437.44522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N=C1CCC2=C(C=C(OC2C1)O)COC(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CC(=O)N=C1CCC2=C(C=C(OC2C1)O)COC(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H23N3O6/c1-14(27)25-16-6-7-17-15(10-22(29)32-20(17)11-16)12-31-21(28)8-9-26-13-24-19-5-3-2-4-18(19)23(26)30/h2-5,10,13,20,29H,6-9,11-12H2,1H3