2-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]-3-methyl-pentanoic acid

Systemtic Name: 2-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-(4-chlorophenyl)-4-quinazolinyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]-3-methyl-valeric acid Formula: C20H20ClN3O2 MolecularWeight: 369.8447

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C)C(C(=O)O)NC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3O2/c1-3-12(2)17(20(25)26)23-19-15-6-4-5-7-16(15)22-18(24-19)13-8-10-14(21)11-9-13/h4-12,17H,3H2,1-2H3,(H,25,26)(H,22,23,24)