2-ethyl-3-phenyl-3-(quinolin-2-ylcarbonylamino)butanoic acid

Systemtic Name: 2-ethyl-3-phenyl-3-(quinolin-2-ylcarbonylamino)butanoic acid Openeye Name: 2-ethyl-3-phenyl-3-(quinoline-2-carbonylamino)butanoic acid CAS Name: 2-ethyl-3-[[oxo(2-quinolinyl)methyl]amino]-3-phenylbutanoic acid IUPAC Name: 2-ethyl-3-phenyl-3-(quinoline-2-carbonylamino)butanoic acid Traditional Name: 2-ethyl-3-phenyl-3-(quinaldoylamino)butyric acid Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)C(C)(C1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCC(C(=O)O)C(C)(C1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H22N2O3/c1-3-17(21(26)27)22(2,16-10-5-4-6-11-16)24-20(25)19-14-13-15-9-7-8-12-18(15)23-19/h4-14,17H,3H2,1-2H3,(H,24,25)(H,26,27)