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

Systemtic Name: 2-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-oxidanyl-methyl]-5-phenyl-pentyl]-5-methyl-pyrazol-4-yl]ethanoic acid Openeye Name: 2-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-phenyl-pentyl]-5-methyl-pyrazol-4-yl]acetic acid CAS Name: 2-[1-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-phenylpentyl]-5-methyl-4-pyrazolyl]acetic acid IUPAC Name: 2-[1-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-phenylpentyl]-5-methylpyrazol-4-yl]acetic acid Traditional Name: 2-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-phenyl-pentyl]-5-methyl-pyrazol-4-yl]acetic acid Formula: C27H34N2O5 MolecularWeight: 466.56926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O5/c1-18-24(33-3)13-22(14-25(18)34-4)27(32)21(12-8-11-20-9-6-5-7-10-20)17-29-19(2)23(16-28-29)15-26(30)31/h5-7,9-10,13-14,16,21,27,32H,8,11-12,15,17H2,1-4H3,(H,30,31)