2-methyl-2-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid

Systemtic Name: 2-methyl-2-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid Openeye Name: 2-methyl-2-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid CAS Name: 2-methyl-2-[(1-phenyl-4-pyrazolyl)methylamino]pentanoic acid IUPAC Name: 2-methyl-2-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid Traditional Name: 2-methyl-2-[(1-phenylpyrazol-4-yl)methylamino]valeric acid Formula: C16H21N3O2 MolecularWeight: 287.35684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NCC1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CCCC(C)(C(=O)O)NCC1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C16H21N3O2/c1-3-9-16(2,15(20)21)17-10-13-11-18-19(12-13)14-7-5-4-6-8-14/h4-8,11-12,17H,3,9-10H2,1-2H3,(H,20,21)