3-[1-(2-carboxyethyl)-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid

Systemtic Name: 3-[1-(2-carboxyethyl)-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid Openeye Name: 3-[1-(2-carboxyethyl)-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid CAS Name: 3-[1-(2-carboxyethyl)-3-(4-methoxyphenyl)-4-pyrazolyl]propanoic acid IUPAC Name: 3-[1-(2-carboxyethyl)-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid Traditional Name: 3-[1-(2-carboxyethyl)-3-(4-methoxyphenyl)pyrazol-4-yl]propionic acid Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2CCC(=O)O)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C16H18N2O5/c1-23-13-5-2-11(3-6-13)16-12(4-7-14(19)20)10-18(17-16)9-8-15(21)22/h2-3,5-6,10H,4,7-9H2,1H3,(H,19,20)(H,21,22)