2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]benzoic acid

Systemtic Name: 2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]benzoic acid Openeye Name: 2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]benzoic acid CAS Name: 2-[[4-(1-pyrazolylmethyl)phenyl]methylamino]benzoic acid IUPAC Name: 2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]benzoic acid Traditional Name: 2-[[4-(pyrazol-1-ylmethyl)benzyl]amino]benzoic acid Formula: C18H17N3O2 MolecularWeight: 307.34648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NCC2=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NCC2=CC=C(C=C2)CN3C=CC=N3

InChI

InChI=1S/C18H17N3O2/c22-18(23)16-4-1-2-5-17(16)19-12-14-6-8-15(9-7-14)13-21-11-3-10-20-21/h1-11,19H,12-13H2,(H,22,23)