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

Systemtic Name: 2-[3-[1-(4-hydroxyphenyl)-5-methyl-pyrazol-4-yl]propanoylamino]benzoic acid Openeye Name: 2-[3-[1-(4-hydroxyphenyl)-5-methyl-pyrazol-4-yl]propanoylamino]benzoic acid CAS Name: 2-[[3-[1-(4-hydroxyphenyl)-5-methyl-4-pyrazolyl]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[3-[1-(4-hydroxyphenyl)-5-methylpyrazol-4-yl]propanoylamino]benzoic acid Traditional Name: 2-[3-[1-(4-hydroxyphenyl)-5-methyl-pyrazol-4-yl]propanoylamino]benzoic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4/c1-13-14(12-21-23(13)15-7-9-16(24)10-8-15)6-11-19(25)22-18-5-3-2-4-17(18)20(26)27/h2-5,7-10,12,24H,6,11H2,1H3,(H,22,25)(H,26,27)