(2S)-2-azanyl-3-[3-(4-ethylphenyl)-1-methyl-pyrazol-4-yl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[3-(4-ethylphenyl)-1-methyl-pyrazol-4-yl]propanoic acid Openeye Name: (2S)-2-amino-3-[3-(4-ethylphenyl)-1-methyl-pyrazol-4-yl]propanoic acid CAS Name: (2S)-2-amino-3-[3-(4-ethylphenyl)-1-methyl-4-pyrazolyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[3-(4-ethylphenyl)-1-methylpyrazol-4-yl]propanoic acid Traditional Name: (2S)-2-amino-3-[3-(4-ethylphenyl)-1-methyl-pyrazol-4-yl]propionic acid Formula: C15H19N3O2 MolecularWeight: 273.33026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2CC(C(=O)O)N)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2C[C@@H](C(=O)O)N)C

InChI

InChI=1S/C15H19N3O2/c1-3-10-4-6-11(7-5-10)14-12(9-18(2)17-14)8-13(16)15(19)20/h4-7,9,13H,3,8,16H2,1-2H3,(H,19,20)/t13-/m0/s1