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

Systemtic Name: 4-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-oxidanyl-methyl]-5-phenyl-pentyl]pyrazol-4-yl]butanoic acid Openeye Name: 4-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-phenyl-pentyl]pyrazol-4-yl]butanoic acid CAS Name: 4-[1-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-phenylpentyl]-4-pyrazolyl]butanoic acid IUPAC Name: 4-[1-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-phenylpentyl]pyrazol-4-yl]butanoic acid Traditional Name: 4-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-phenyl-pentyl]pyrazol-4-yl]butyric acid Formula: C28H36N2O5 MolecularWeight: 480.59584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O5/c1-20-25(34-2)15-24(16-26(20)35-3)28(33)23(13-7-11-21-9-5-4-6-10-21)19-30-18-22(17-29-30)12-8-14-27(31)32/h4-6,9-10,15-18,23,28,33H,7-8,11-14,19H2,1-3H3,(H,31,32)