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

Systemtic Name: 3-[3-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[3-[[2-(3,4-diethoxyphenyl)ethylamino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propionic acid Formula: C19H25N3O5 MolecularWeight: 375.4189

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=NN(C=C2)CCC(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=NN(C=C2)CCC(=O)O)OCC

InChI

InChI=1S/C19H25N3O5/c1-3-26-16-6-5-14(13-17(16)27-4-2)7-10-20-19(25)15-8-11-22(21-15)12-9-18(23)24/h5-6,8,11,13H,3-4,7,9-10,12H2,1-2H3,(H,20,25)(H,23,24)