3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanoylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4-methyl-benzoic acid Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CC2=C(NN=C2C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CC2=C(NN=C2C)C

InChI

InChI=1S/C15H17N3O3/c1-8-4-5-11(15(20)21)6-13(8)16-14(19)7-12-9(2)17-18-10(12)3/h4-6H,7H2,1-3H3,(H,16,19)(H,17,18)(H,20,21)