[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-chloranyl-5-methoxy-4-(3-methylbutoxy)benzoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-chloranyl-5-methoxy-4-(3-methylbutoxy)benzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3-chloro-4-isopentyloxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate Traditional Name: 3-chloro-4-isoamoxy-5-methoxy-benzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C24H24ClN3O5 MolecularWeight: 469.91746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1Cl)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1Cl)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)OC

InChI

InChI=1S/C24H24ClN3O5/c1-15(2)8-11-32-22-18(25)12-16(13-20(22)31-3)24(30)33-14-21-27-19-7-5-4-6-17(19)23(29)28(21)10-9-26/h4-7,12-13,15H,8,10-11,14H2,1-3H3