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

Systemtic Name: 2-[[4-[(2-chloranyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonyl-ethyl-amino]-2-ethyl-pentanedioic acid Openeye Name: 2-[[4-[(2-chloro-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]-ethyl-amino]-2-ethyl-pentanedioic acid CAS Name: 2-[[[4-[(2-chloro-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]-ethylamino]-2-ethylpentanedioic acid IUPAC Name: 2-[[4-[(2-chloro-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]-ethylamino]-2-ethylpentanedioic acid Traditional Name: 2-[[4-[(2-chloro-4-keto-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]-ethyl-amino]-2-ethyl-glutaric acid Formula: C28H29ClN4O6 MolecularWeight: 553.00606

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(=O)O)(C(=O)O)N(CC)C(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=NC3=O)Cl

Isomeric SMILES

CCC(CCC(=O)O)(C(=O)O)N(CC)C(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=NC3=O)Cl

InChI

InChI=1S/C28H29ClN4O6/c1-4-15-32(17-18-7-12-22-21(16-18)24(36)31-27(29)30-22)20-10-8-19(9-11-20)25(37)33(6-3)28(5-2,26(38)39)14-13-23(34)35/h1,7-12,16H,5-6,13-15,17H2,2-3H3,(H,34,35)(H,38,39)(H,30,31,36)