3-[(1-ethylpyrazol-4-yl)methylamino]-2-methyl-benzoic acid

Systemtic Name: 3-[(1-ethylpyrazol-4-yl)methylamino]-2-methyl-benzoic acid Openeye Name: 3-[(1-ethylpyrazol-4-yl)methylamino]-2-methyl-benzoic acid CAS Name: 3-[(1-ethyl-4-pyrazolyl)methylamino]-2-methylbenzoic acid IUPAC Name: 3-[(1-ethylpyrazol-4-yl)methylamino]-2-methylbenzoic acid Traditional Name: 3-[(1-ethylpyrazol-4-yl)methylamino]-2-methyl-benzoic acid Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CNC2=CC=CC(=C2C)C(=O)O

Isomeric SMILES

CCN1C=C(C=N1)CNC2=CC=CC(=C2C)C(=O)O

InChI

InChI=1S/C14H17N3O2/c1-3-17-9-11(8-16-17)7-15-13-6-4-5-12(10(13)2)14(18)19/h4-6,8-9,15H,3,7H2,1-2H3,(H,18,19)