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

Systemtic Name: 2-[[5-(4-dimethylaminophenyl)-2-ethanoyl-3,4-dihydropyrazol-3-yl]amino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[2-acetyl-5-(4-dimethylaminophenyl)-3,4-dihydropyrazol-3-yl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[2-acetyl-5-(4-dimethylaminophenyl)-3,4-dihydropyrazol-3-yl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[2-acetyl-5-(4-dimethylaminophenyl)-3,4-dihydropyrazol-3-yl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[2-acetyl-5-(4-dimethylaminophenyl)-2-pyrazolin-3-yl]amino]-3-hydroxy-propionic acid Formula: C16H22N4O4 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)N(C)C)NC(CO)C(=O)O

Isomeric SMILES

CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)N(C)C)NC(CO)C(=O)O

InChI

InChI=1S/C16H22N4O4/c1-10(22)20-15(17-14(9-21)16(23)24)8-13(18-20)11-4-6-12(7-5-11)19(2)3/h4-7,14-15,17,21H,8-9H2,1-3H3,(H,23,24)