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

Systemtic Name: 2-[[4-[(2-methoxy-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-enyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[allyl-[(2-methoxy-4-oxo-1H-quinazolin-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2-methoxy-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-enylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2-methoxy-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-enylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[allyl-[(4-keto-2-methoxy-1H-quinazolin-6-yl)methyl]amino]benzoyl]amino]glutaric acid Formula: C25H26N4O7 MolecularWeight: 494.49654

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H26N4O7/c1-3-12-29(14-15-4-9-19-18(13-15)23(33)28-25(27-19)36-2)17-7-5-16(6-8-17)22(32)26-20(24(34)35)10-11-21(30)31/h3-9,13,20H,1,10-12,14H2,2H3,(H,26,32)(H,30,31)(H,34,35)(H,27,28,33)