2-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-oxidanyl-methyl]-5-phenyl-pentyl]pyrazol-3-yl]ethanoic acid

Systemtic Name: 2-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-oxidanyl-methyl]-5-phenyl-pentyl]pyrazol-3-yl]ethanoic acid Openeye Name: 2-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-phenyl-pentyl]pyrazol-3-yl]acetic acid CAS Name: 2-[1-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-phenylpentyl]-3-pyrazolyl]acetic acid IUPAC Name: 2-[1-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-phenylpentyl]pyrazol-3-yl]acetic acid Traditional Name: 2-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-phenyl-pentyl]pyrazol-3-yl]acetic acid Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(C(CCCC2=CC=CC=C2)CN3C=CC(=N3)CC(=O)O)O)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(C(CCCC2=CC=CC=C2)CN3C=CC(=N3)CC(=O)O)O)OC

InChI

InChI=1S/C26H32N2O5/c1-18-23(32-2)14-21(15-24(18)33-3)26(31)20(11-7-10-19-8-5-4-6-9-19)17-28-13-12-22(27-28)16-25(29)30/h4-6,8-9,12-15,20,26,31H,7,10-11,16-17H2,1-3H3,(H,29,30)