2-[[4-[(3-methyl-1-oxidanylidene-4H-benzo[f]quinazolin-9-yl)carbonylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(3-methyl-1-oxidanylidene-4H-benzo[f]quinazolin-9-yl)carbonylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(3-methyl-1-oxo-4H-benzo[f]quinazoline-9-carbonyl)amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[(3-methyl-1-oxo-4H-benzo[f]quinazolin-9-yl)-oxomethyl]amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(3-methyl-1-oxo-4H-benzo[f]quinazoline-9-carbonyl)amino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(1-keto-3-methyl-4H-benzo[f]quinazoline-9-carbonyl)amino]benzoyl]amino]glutaric acid Formula: C26H22N4O7 MolecularWeight: 502.47548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC3=C2C=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC3=C2C=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C26H22N4O7/c1-13-27-19-9-6-14-2-3-16(12-18(14)22(19)25(35)28-13)24(34)29-17-7-4-15(5-8-17)23(33)30-20(26(36)37)10-11-21(31)32/h2-9,12,20H,10-11H2,1H3,(H,29,34)(H,30,33)(H,31,32)(H,36,37)(H,27,28,35)