3-methyl-2-[[3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]amino]butanoic acid Openeye Name: 3-methyl-2-[[3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]amino]butanoic acid CAS Name: 3-methyl-2-[[3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]amino]butanoic acid Traditional Name: 3-methyl-2-[[5-(4-phenoxyphenyl)-2-pyrazolin-3-yl]amino]butyric acid Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC1CC(=NN1)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)O)NC1CC(=NN1)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3/c1-13(2)19(20(24)25)21-18-12-17(22-23-18)14-8-10-16(11-9-14)26-15-6-4-3-5-7-15/h3-11,13,18-19,21,23H,12H2,1-2H3,(H,24,25)