O1-ethyl O7-methyl (2Z)-2-(4-oxidanylidene-2-propan-2-yl-quinazolin-3-yl)iminoheptanedioate

Systemtic Name: O1-ethyl O7-methyl (2Z)-2-(4-oxidanylidene-2-propan-2-yl-quinazolin-3-yl)iminoheptanedioate Openeye Name: O1-ethyl O7-methyl (2Z)-2-(2-isopropyl-4-oxo-quinazolin-3-yl)iminoheptanedioate CAS Name: (2Z)-2-[(4-oxo-2-propan-2-yl-3-quinazolinyl)imino]heptanedioic acid O1-ethyl ester O7-methyl ester IUPAC Name: 1-O-ethyl 7-O-methyl (2Z)-2-(4-oxo-2-propan-2-ylquinazolin-3-yl)iminoheptanedioate Traditional Name: (2Z)-2-(2-isopropyl-4-keto-quinazolin-3-yl)iminopimelic acid O1-ethyl ester O7-methyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NN1C(=O)C2=CC=CC=C2N=C1C(C)C)CCCCC(=O)OC

Isomeric SMILES

CCOC(=O)/C(=N\N1C(=O)C2=CC=CC=C2N=C1C(C)C)/CCCCC(=O)OC

InChI

InChI=1S/C21H27N3O5/c1-5-29-21(27)17(12-8-9-13-18(25)28-4)23-24-19(14(2)3)22-16-11-7-6-10-15(16)20(24)26/h6-7,10-11,14H,5,8-9,12-13H2,1-4H3/b23-17-