2-[[(2-methoxy-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-(phenylcarbonyl)amino]pentanedioic acid

Systemtic Name: 2-[[(2-methoxy-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-(phenylcarbonyl)amino]pentanedioic acid Openeye Name: 2-[benzoyl-[(2-methoxy-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]amino]pentanedioic acid CAS Name: 2-[benzoyl-[(2-methoxy-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]amino]pentanedioic acid IUPAC Name: 2-[benzoyl-[(2-methoxy-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]amino]pentanedioic acid Traditional Name: 2-[benzoyl-[(4-keto-2-methoxy-1H-quinazolin-6-yl)methyl-propargyl-amino]amino]glutaric acid Formula: C25H24N4O7 MolecularWeight: 492.48066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O7/c1-3-13-28(15-16-9-10-19-18(14-16)22(32)27-25(26-19)36-2)29(20(24(34)35)11-12-21(30)31)23(33)17-7-5-4-6-8-17/h1,4-10,14,20H,11-13,15H2,2H3,(H,30,31)(H,34,35)(H,26,27,32)