5-acetamido-2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]amino]benzoic acid

Systemtic Name: 5-acetamido-2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]amino]benzoic acid Openeye Name: 5-acetamido-2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]amino]benzoic acid CAS Name: 5-acetamido-2-[methyl-[3-(1,3,5-trimethyl-4-pyrazolyl)propyl]amino]benzoic acid IUPAC Name: 5-acetamido-2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]amino]benzoic acid Traditional Name: 5-acetamido-2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]amino]benzoic acid Formula: C19H26N4O3 MolecularWeight: 358.43474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCCN(C)C2=C(C=C(C=C2)NC(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C)C)CCCN(C)C2=C(C=C(C=C2)NC(=O)C)C(=O)O

InChI

InChI=1S/C19H26N4O3/c1-12-16(13(2)23(5)21-12)7-6-10-22(4)18-9-8-15(20-14(3)24)11-17(18)19(25)26/h8-9,11H,6-7,10H2,1-5H3,(H,20,24)(H,25,26)