5-acetamido-2-[2-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethyl-methyl-amino]benzoic acid

Systemtic Name: 5-acetamido-2-[2-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethyl-methyl-amino]benzoic acid Openeye Name: 5-acetamido-2-[2-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethyl-methyl-amino]benzoic acid CAS Name: 5-acetamido-2-[2-(1-ethyl-3,5-dimethyl-4-pyrazolyl)ethyl-methylamino]benzoic acid IUPAC Name: 5-acetamido-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]benzoic acid Traditional Name: 5-acetamido-2-[2-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethyl-methyl-amino]benzoic acid Formula: C19H26N4O3 MolecularWeight: 358.43474

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CCN(C)C2=C(C=C(C=C2)NC(=O)C)C(=O)O)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CCN(C)C2=C(C=C(C=C2)NC(=O)C)C(=O)O)C

InChI

InChI=1S/C19H26N4O3/c1-6-23-13(3)16(12(2)21-23)9-10-22(5)18-8-7-15(20-14(4)24)11-17(18)19(25)26/h7-8,11H,6,9-10H2,1-5H3,(H,20,24)(H,25,26)