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

Systemtic Name: 2-[[4-[[2-(2-methoxyethoxy)-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[[2-(2-methoxyethoxy)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[2-(2-methoxyethoxy)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[2-(2-methoxyethoxy)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[4-keto-2-(2-methoxyethoxy)-1H-quinazolin-6-yl]methyl-propargyl-amino]benzoyl]amino]glutaric acid Formula: C27H28N4O8 MolecularWeight: 536.53322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=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

COCCOC1=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/C27H28N4O8/c1-3-12-31(16-17-4-9-21-20(15-17)25(35)30-27(29-21)39-14-13-38-2)19-7-5-18(6-8-19)24(34)28-22(26(36)37)10-11-23(32)33/h1,4-9,15,22H,10-14,16H2,2H3,(H,28,34)(H,32,33)(H,36,37)(H,29,30,35)