tert-butyl 2-[4-[[6-acetamido-2-butyl-4,5-bis(oxidanylidene)-6H-quinazolin-3-yl]methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[[6-acetamido-2-butyl-4,5-bis(oxidanylidene)-6H-quinazolin-3-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[(6-acetamido-2-butyl-4,5-dioxo-6H-quinazolin-3-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(6-acetamido-2-butyl-4,5-dioxo-6H-quinazolin-3-yl)methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(6-acetamido-2-butyl-4,5-dioxo-6H-quinazolin-3-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(6-acetamido-2-butyl-4,5-diketo-6H-quinazolin-3-yl)methyl]phenyl]benzoic acid tert-butyl ester Formula: C32H35N3O5 MolecularWeight: 541.6374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=O)C(C=C2)NC(=O)C)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=NC2=C(C(=O)C(C=C2)NC(=O)C)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C

InChI

InChI=1S/C32H35N3O5/c1-6-7-12-27-34-25-17-18-26(33-20(2)36)29(37)28(25)30(38)35(27)19-21-13-15-22(16-14-21)23-10-8-9-11-24(23)31(39)40-32(3,4)5/h8-11,13-18,26H,6-7,12,19H2,1-5H3,(H,33,36)