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

Systemtic Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]ethanoic acid Openeye Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid CAS Name: 2-[4-[[2-(3,4-dimethoxyphenyl)ethylamino]-oxomethyl]-1-pyrazolyl]acetic acid IUPAC Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid Traditional Name: 2-[4-(homoveratrylcarbamoyl)pyrazol-1-yl]acetic acid Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CN(N=C2)CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CN(N=C2)CC(=O)O)OC

InChI

InChI=1S/C16H19N3O5/c1-23-13-4-3-11(7-14(13)24-2)5-6-17-16(22)12-8-18-19(9-12)10-15(20)21/h3-4,7-9H,5-6,10H2,1-2H3,(H,17,22)(H,20,21)