2-[[4-[(3-methyl-1-oxidanylidene-4H-benzo[f]quinazolin-8-yl)methylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(3-methyl-1-oxidanylidene-4H-benzo[f]quinazolin-8-yl)methylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(3-methyl-1-oxo-4H-benzo[f]quinazolin-8-yl)methylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(3-methyl-1-oxo-4H-benzo[f]quinazolin-8-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(3-methyl-1-oxo-4H-benzo[f]quinazolin-8-yl)methylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(1-keto-3-methyl-4H-benzo[f]quinazolin-8-yl)methylamino]benzoyl]amino]glutaric acid Formula: C26H24N4O6 MolecularWeight: 488.49196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC3=C2C=CC(=C3)CNC4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC3=C2C=CC(=C3)CNC4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C26H24N4O6/c1-14-28-20-9-5-17-12-15(2-8-19(17)23(20)25(34)29-14)13-27-18-6-3-16(4-7-18)24(33)30-21(26(35)36)10-11-22(31)32/h2-9,12,21,27H,10-11,13H2,1H3,(H,30,33)(H,31,32)(H,35,36)(H,28,29,34)