2-[[5-(4-dimethylaminophenyl)-2-ethanoyl-3,4-dihydropyrazol-3-yl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[5-(4-dimethylaminophenyl)-2-ethanoyl-3,4-dihydropyrazol-3-yl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-acetyl-5-(4-dimethylaminophenyl)-3,4-dihydropyrazol-3-yl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-acetyl-5-(4-dimethylaminophenyl)-3,4-dihydropyrazol-3-yl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-acetyl-5-(4-dimethylaminophenyl)-3,4-dihydropyrazol-3-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-acetyl-5-(4-dimethylaminophenyl)-2-pyrazolin-3-yl]amino]-3-phenyl-propionic acid Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)N(C)C)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)N(C)C)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H26N4O3/c1-15(27)26-21(23-20(22(28)29)13-16-7-5-4-6-8-16)14-19(24-26)17-9-11-18(12-10-17)25(2)3/h4-12,20-21,23H,13-14H2,1-3H3,(H,28,29)