(3S)-3-azaniumyl-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]propanoate

Systemtic Name: (3S)-3-azaniumyl-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]propanoate Openeye Name: (3S)-3-azaniumyl-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]propanoate CAS Name: (3S)-3-ammonio-3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]propanoate IUPAC Name: (3S)-3-azaniumyl-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]propanoate Traditional Name: (3S)-3-ammonio-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]propionate Formula: C19H19N3O3 MolecularWeight: 337.37246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C(CC(=O)[O-])[NH3+])C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2[C@H](CC(=O)[O-])[NH3+])C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O3/c1-25-15-9-7-13(8-10-15)19-16(17(20)11-18(23)24)12-22(21-19)14-5-3-2-4-6-14/h2-10,12,17H,11,20H2,1H3,(H,23,24)/t17-/m0/s1