2-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]butanedioic acid

Systemtic Name: 2-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]butanedioic acid Openeye Name: 2-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]butanedioic acid CAS Name: 2-[[2-(4-chlorophenyl)-4-quinazolinyl]amino]butanedioic acid IUPAC Name: 2-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]butanedioic acid Traditional Name: 2-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]succinic acid Formula: C18H14ClN3O4 MolecularWeight: 371.77446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)Cl)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)Cl)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C18H14ClN3O4/c19-11-7-5-10(6-8-11)16-20-13-4-2-1-3-12(13)17(22-16)21-14(18(25)26)9-15(23)24/h1-8,14H,9H2,(H,23,24)(H,25,26)(H,20,21,22)