1,5-dimethyl-2-phenyl-pyrazol-3-one; 3-(2-hydroxyphenyl)propanoic acid

Systemtic Name: 1,5-dimethyl-2-phenyl-pyrazol-3-one; 3-(2-hydroxyphenyl)propanoic acid Openeye Name: 1,5-dimethyl-2-phenyl-pyrazol-3-one; 3-(2-hydroxyphenyl)propanoic acid CAS Name: 1,5-dimethyl-2-phenyl-3-pyrazolone; 3-(2-hydroxyphenyl)propanoic acid IUPAC Name: 1,5-dimethyl-2-phenylpyrazol-3-one; 3-(2-hydroxyphenyl)propanoic acid Traditional Name: antipyrine; 3-(2-hydroxyphenyl)propionic acid Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1C)C2=CC=CC=C2.C1=CC=C(C(=C1)CCC(=O)O)O

Isomeric SMILES

CC1=CC(=O)N(N1C)C2=CC=CC=C2.C1=CC=C(C(=C1)CCC(=O)O)O

InChI

InChI=1S/C11H12N2O.C9H10O3/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;10-8-4-2-1-3-7(8)5-6-9(11)12/h3-8H,1-2H3;1-4,10H,5-6H2,(H,11,12)