3-(3-cyano-4-morpholin-4-yl-phenyl)carbonylpentanoic acid

Systemtic Name: 3-(3-cyano-4-morpholin-4-yl-phenyl)carbonylpentanoic acid Openeye Name: 3-(3-cyano-4-morpholino-benzoyl)pentanoic acid CAS Name: 3-[[3-cyano-4-(4-morpholinyl)phenyl]-oxomethyl]pentanoic acid IUPAC Name: 3-(3-cyano-4-morpholin-4-ylbenzoyl)pentanoic acid Traditional Name: 3-(3-cyano-4-morpholino-benzoyl)valeric acid Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)O)C(=O)C1=CC(=C(C=C1)N2CCOCC2)C#N

Isomeric SMILES

CCC(CC(=O)O)C(=O)C1=CC(=C(C=C1)N2CCOCC2)C#N

InChI

InChI=1S/C17H20N2O4/c1-2-12(10-16(20)21)17(22)13-3-4-15(14(9-13)11-18)19-5-7-23-8-6-19/h3-4,9,12H,2,5-8,10H2,1H3,(H,20,21)