3-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[3-[[2-(3,4-dimethoxyphenyl)ethylamino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-(homoveratrylcarbamoyl)pyrazol-1-yl]propionic acid Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=NN(C=C2)CCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=NN(C=C2)CCC(=O)O)OC

InChI

InChI=1S/C17H21N3O5/c1-24-14-4-3-12(11-15(14)25-2)5-8-18-17(23)13-6-9-20(19-13)10-7-16(21)22/h3-4,6,9,11H,5,7-8,10H2,1-2H3,(H,18,23)(H,21,22)