4-benzamido-5-[[2-(chloromethyl)-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]oxy-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-benzamido-5-[[2-(chloromethyl)-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]oxy-5-oxidanylidene-pentanoic acid Openeye Name: 4-benzamido-5-[[2-(chloromethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]oxy-5-oxo-pentanoic acid CAS Name: 4-benzamido-5-[[2-(chloromethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]oxy-5-oxopentanoic acid IUPAC Name: 4-benzamido-5-[[2-(chloromethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]oxy-5-oxopentanoic acid Traditional Name: 4-benzamido-5-[[2-(chloromethyl)-4-keto-1H-quinazolin-6-yl]methyl-propargyl-amino]oxy-5-keto-valeric acid Formula: C25H23ClN4O6 MolecularWeight: 510.92632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)CCl)OC(=O)C(CCC(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)CCl)OC(=O)C(CCC(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H23ClN4O6/c1-2-12-30(15-16-8-9-19-18(13-16)24(34)29-21(14-26)27-19)36-25(35)20(10-11-22(31)32)28-23(33)17-6-4-3-5-7-17/h1,3-9,13,20H,10-12,14-15H2,(H,28,33)(H,31,32)(H,27,29,34)