2-[[2-ethanoyl-5-(3-phenoxyphenyl)-3,4-dihydropyrazol-3-yl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-ethanoyl-5-(3-phenoxyphenyl)-3,4-dihydropyrazol-3-yl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-acetyl-5-(3-phenoxyphenyl)-3,4-dihydropyrazol-3-yl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-acetyl-5-(3-phenoxyphenyl)-3,4-dihydropyrazol-3-yl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-acetyl-5-(3-phenoxyphenyl)-3,4-dihydropyrazol-3-yl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-acetyl-5-(3-phenoxyphenyl)-2-pyrazolin-3-yl]amino]-3-methyl-butyric acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC1CC(=NN1C(=O)C)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)O)NC1CC(=NN1C(=O)C)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4/c1-14(2)21(22(27)28)23-20-13-19(24-25(20)15(3)26)16-8-7-11-18(12-16)29-17-9-5-4-6-10-17/h4-12,14,20-21,23H,13H2,1-3H3,(H,27,28)