2-methyl-2-[(4-pyrazol-1-ylphenyl)methylamino]pentanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NCC1=CC=C(C=C1)N2C=CC=N2

Isomeric SMILES

CCCC(C)(C(=O)O)NCC1=CC=C(C=C1)N2C=CC=N2

InChI

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