5-oxidanylidene-5-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid

Systemtic Name: 5-oxidanylidene-5-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid Openeye Name: 5-oxo-5-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid CAS Name: 5-oxo-5-[(1-phenyl-4-pyrazolyl)methylamino]pentanoic acid IUPAC Name: 5-oxo-5-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid Traditional Name: 5-keto-5-[(1-phenylpyrazol-4-yl)methylamino]valeric acid Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CNC(=O)CCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CNC(=O)CCCC(=O)O

InChI

InChI=1S/C15H17N3O3/c19-14(7-4-8-15(20)21)16-9-12-10-17-18(11-12)13-5-2-1-3-6-13/h1-3,5-6,10-11H,4,7-9H2,(H,16,19)(H,20,21)