3-[[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]methyl]benzoic acid

Systemtic Name: 3-[[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 3-[[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]methyl]benzoic acid CAS Name: 3-[[[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 3-[[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]methyl]benzoic acid Traditional Name: 3-[[[4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]methyl]benzoic acid Formula: C28H24N4O4 MolecularWeight: 480.51456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C28H24N4O4/c1-3-13-32(17-20-7-12-25-24(15-20)27(34)31-18(2)30-25)23-10-8-21(9-11-23)26(33)29-16-19-5-4-6-22(14-19)28(35)36/h1,4-12,14-15H,13,16-17H2,2H3,(H,29,33)(H,35,36)(H,30,31,34)