2-[[4-[(2-methoxy-4-oxidanylidene-1H-quinazolin-6-yl)methyl-(3-oxidanylpropyl)amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(2-methoxy-4-oxidanylidene-1H-quinazolin-6-yl)methyl-(3-oxidanylpropyl)amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[3-hydroxypropyl-[(2-methoxy-4-oxo-1H-quinazolin-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[3-hydroxypropyl-[(2-methoxy-4-oxo-1H-quinazolin-6-yl)methyl]amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[3-hydroxypropyl-[(2-methoxy-4-oxo-1H-quinazolin-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[3-hydroxypropyl-[(4-keto-2-methoxy-1H-quinazolin-6-yl)methyl]amino]benzoyl]amino]glutaric acid Formula: C25H28N4O8 MolecularWeight: 512.51182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CCCO)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

COC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CCCO)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C25H28N4O8/c1-37-25-27-19-8-3-15(13-18(19)23(34)28-25)14-29(11-2-12-30)17-6-4-16(5-7-17)22(33)26-20(24(35)36)9-10-21(31)32/h3-8,13,20,30H,2,9-12,14H2,1H3,(H,26,33)(H,31,32)(H,35,36)(H,27,28,34)