4-[[4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoylamino]methyl]benzoic acid Openeye Name: 4-[[4-(4-oxo-1H-quinazolin-2-yl)butanoylamino]methyl]benzoic acid CAS Name: 4-[[[1-oxo-4-(4-oxo-1H-quinazolin-2-yl)butyl]amino]methyl]benzoic acid IUPAC Name: 4-[[4-(4-oxo-1H-quinazolin-2-yl)butanoylamino]methyl]benzoic acid Traditional Name: 4-[[4-(4-keto-1H-quinazolin-2-yl)butanoylamino]methyl]benzoic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CCCC(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CCCC(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H19N3O4/c24-18(21-12-13-8-10-14(11-9-13)20(26)27)7-3-6-17-22-16-5-2-1-4-15(16)19(25)23-17/h1-2,4-5,8-11H,3,6-7,12H2,(H,21,24)(H,26,27)(H,22,23,25)