(2R)-2-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoate

Systemtic Name: (2R)-2-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoate Openeye Name: (2R)-2-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoate CAS Name: (2R)-2-[3-[[2-(3,4-dimethoxyphenyl)ethylamino]-oxomethyl]-1-pyrazolyl]propanoate IUPAC Name: (2R)-2-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoate Traditional Name: (2R)-2-[3-(homoveratrylcarbamoyl)pyrazol-1-yl]propionate Formula: C17H20N3O5- MolecularWeight: 346.3578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])N1C=CC(=N1)C(=O)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[C@H](C(=O)[O-])N1C=CC(=N1)C(=O)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H21N3O5/c1-11(17(22)23)20-9-7-13(19-20)16(21)18-8-6-12-4-5-14(24-2)15(10-12)25-3/h4-5,7,9-11H,6,8H2,1-3H3,(H,18,21)(H,22,23)/p-1/t11-/m1/s1