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

Systemtic Name: 2-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-oxidanyl-methyl]-5-phenyl-pentyl]pyrazol-4-yl]benzoic acid Openeye Name: 2-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-phenyl-pentyl]pyrazol-4-yl]benzoic acid CAS Name: 2-[1-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-phenylpentyl]-4-pyrazolyl]benzoic acid IUPAC Name: 2-[1-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-phenylpentyl]pyrazol-4-yl]benzoic acid Traditional Name: 2-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-phenyl-pentyl]pyrazol-4-yl]benzoic acid Formula: C31H34N2O5 MolecularWeight: 514.61206

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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)C4=CC=CC=C4C(=O)O)O)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(C(CCCC2=CC=CC=C2)CN3C=C(C=N3)C4=CC=CC=C4C(=O)O)O)OC

InChI

InChI=1S/C31H34N2O5/c1-21-28(37-2)16-24(17-29(21)38-3)30(34)23(13-9-12-22-10-5-4-6-11-22)19-33-20-25(18-32-33)26-14-7-8-15-27(26)31(35)36/h4-8,10-11,14-18,20,23,30,34H,9,12-13,19H2,1-3H3,(H,35,36)