2-[2-[oxidanyl(4-phenylbutyl)phosphoryl]ethanoyl]-5-phenyl-3,4-dihydropyrazole-3-carboxylic acid

Systemtic Name: 2-[2-[oxidanyl(4-phenylbutyl)phosphoryl]ethanoyl]-5-phenyl-3,4-dihydropyrazole-3-carboxylic acid Openeye Name: 2-[2-[hydroxy(4-phenylbutyl)phosphoryl]acetyl]-5-phenyl-3,4-dihydropyrazole-3-carboxylic acid CAS Name: 2-[2-[hydroxy(4-phenylbutyl)phosphoryl]-1-oxoethyl]-5-phenyl-3,4-dihydropyrazole-3-carboxylic acid IUPAC Name: 2-[2-[hydroxy(4-phenylbutyl)phosphoryl]acetyl]-5-phenyl-3,4-dihydropyrazole-3-carboxylic acid Traditional Name: 2-[2-[hydroxy(4-phenylbutyl)phosphoryl]acetyl]-5-phenyl-2-pyrazoline-3-carboxylic acid Formula: C22H25N2O5P MolecularWeight: 428.418061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CC=C2)C(=O)CP(=O)(CCCCC3=CC=CC=C3)O)C(=O)O

Isomeric SMILES

C1C(N(N=C1C2=CC=CC=C2)C(=O)CP(=O)(CCCCC3=CC=CC=C3)O)C(=O)O

InChI

InChI=1S/C22H25N2O5P/c25-21(16-30(28,29)14-8-7-11-17-9-3-1-4-10-17)24-20(22(26)27)15-19(23-24)18-12-5-2-6-13-18/h1-6,9-10,12-13,20H,7-8,11,14-16H2,(H,26,27)(H,28,29)