5-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-5-oxo-pentanoic acid CAS Name: 5-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylamino]-5-oxopentanoic acid IUPAC Name: 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-5-oxopentanoic acid Traditional Name: 5-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-5-keto-valeric acid Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CCCC(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CCCC(=O)O

InChI

InChI=1S/C17H21N3O3/c1-12-15(11-18-16(21)9-6-10-17(22)23)13(2)20(19-12)14-7-4-3-5-8-14/h3-5,7-8H,6,9-11H2,1-2H3,(H,18,21)(H,22,23)