ethyl 4-[1-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl-hexyl-amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[1-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl-hexyl-amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[1-[3-(3-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]ethyl-hexyl-amino]-4-oxo-butanoate CAS Name: 4-[1-[3-(3-chloro-2-methylphenyl)-4-oxo-2-quinazolinyl]ethyl-hexylamino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl-hexylamino]-4-oxobutanoate Traditional Name: 4-[1-[3-(3-chloro-2-methyl-phenyl)-4-keto-quinazolin-2-yl]ethyl-hexyl-amino]-4-keto-butyric acid ethyl ester Formula: C29H36ClN3O4 MolecularWeight: 526.06684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C(C)C1=NC2=CC=CC=C2C(=O)N1C3=C(C(=CC=C3)Cl)C)C(=O)CCC(=O)OCC

Isomeric SMILES

CCCCCCN(C(C)C1=NC2=CC=CC=C2C(=O)N1C3=C(C(=CC=C3)Cl)C)C(=O)CCC(=O)OCC

InChI

InChI=1S/C29H36ClN3O4/c1-5-7-8-11-19-32(26(34)17-18-27(35)37-6-2)21(4)28-31-24-15-10-9-13-22(24)29(36)33(28)25-16-12-14-23(30)20(25)3/h9-10,12-16,21H,5-8,11,17-19H2,1-4H3