dimethyl (2E)-2-(4-oxidanylidene-2-propan-2-yl-quinazolin-3-yl)iminoheptanedioate

Systemtic Name: dimethyl (2E)-2-(4-oxidanylidene-2-propan-2-yl-quinazolin-3-yl)iminoheptanedioate Openeye Name: dimethyl (2E)-2-(2-isopropyl-4-oxo-quinazolin-3-yl)iminoheptanedioate CAS Name: (2E)-2-[(4-oxo-2-propan-2-yl-3-quinazolinyl)imino]heptanedioic acid dimethyl ester IUPAC Name: dimethyl (2E)-2-(4-oxo-2-propan-2-ylquinazolin-3-yl)iminoheptanedioate Traditional Name: (2E)-2-(2-isopropyl-4-keto-quinazolin-3-yl)iminopimelic acid dimethyl ester Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=O)N1N=C(CCCCC(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=O)N1/N=C(\CCCCC(=O)OC)/C(=O)OC

InChI

InChI=1S/C20H25N3O5/c1-13(2)18-21-15-10-6-5-9-14(15)19(25)23(18)22-16(20(26)28-4)11-7-8-12-17(24)27-3/h5-6,9-10,13H,7-8,11-12H2,1-4H3/b22-16+