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

Systemtic Name: 4-benzamido-5-[(2-chloranyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]oxy-5-oxidanylidene-pentanoic acid Openeye Name: 4-benzamido-5-[(2-chloro-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]oxy-5-oxo-pentanoic acid CAS Name: 4-benzamido-5-[(2-chloro-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]oxy-5-oxopentanoic acid IUPAC Name: 4-benzamido-5-[(2-chloro-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]oxy-5-oxopentanoic acid Traditional Name: 4-benzamido-5-[(2-chloro-4-keto-1H-quinazolin-6-yl)methyl-propargyl-amino]oxy-5-keto-valeric acid Formula: C24H21ClN4O6 MolecularWeight: 496.89974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21ClN4O6/c1-2-12-29(14-15-8-9-18-17(13-15)22(33)28-24(25)27-18)35-23(34)19(10-11-20(30)31)26-21(32)16-6-4-3-5-7-16/h1,3-9,13,19H,10-12,14H2,(H,26,32)(H,30,31)(H,27,28,33)