3-methyl-2-[(2-phenylquinolin-4-yl)carbonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[(2-phenylquinolin-4-yl)carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[(2-phenylquinoline-4-carbonyl)amino]butanoic acid CAS Name: 3-methyl-2-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[(2-phenylquinoline-4-carbonyl)amino]butanoic acid Traditional Name: 3-methyl-2-[(2-phenylquinoline-4-carbonyl)amino]butyric acid Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3/c1-13(2)19(21(25)26)23-20(24)16-12-18(14-8-4-3-5-9-14)22-17-11-7-6-10-15(16)17/h3-13,19H,1-2H3,(H,23,24)(H,25,26)