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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CN(N=C2)CCC(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CN(N=C2)CCC(=O)O)OCC

InChI

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