2-[[3-[1-(4-hydroxyphenyl)-5-methyl-pyrazol-4-yl]-2-methyl-propanoyl]amino]benzoic acid

Systemtic Name: 2-[[3-[1-(4-hydroxyphenyl)-5-methyl-pyrazol-4-yl]-2-methyl-propanoyl]amino]benzoic acid Openeye Name: 2-[[3-[1-(4-hydroxyphenyl)-5-methyl-pyrazol-4-yl]-2-methyl-propanoyl]amino]benzoic acid CAS Name: 2-[[3-[1-(4-hydroxyphenyl)-5-methyl-4-pyrazolyl]-2-methyl-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[[3-[1-(4-hydroxyphenyl)-5-methylpyrazol-4-yl]-2-methylpropanoyl]amino]benzoic acid Traditional Name: 2-[[3-[1-(4-hydroxyphenyl)-5-methyl-pyrazol-4-yl]-2-methyl-propanoyl]amino]benzoic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)O)CC(C)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)O)CC(C)C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H21N3O4/c1-13(20(26)23-19-6-4-3-5-18(19)21(27)28)11-15-12-22-24(14(15)2)16-7-9-17(25)10-8-16/h3-10,12-13,25H,11H2,1-2H3,(H,23,26)(H,27,28)