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

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

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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)CCC(=O)O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O5/c1-19-24(33-2)14-23(15-25(19)34-3)27(32)22(11-7-10-20-8-5-4-6-9-20)18-29-17-21(16-28-29)12-13-26(30)31/h4-6,8-9,14-17,22,27,32H,7,10-13,18H2,1-3H3,(H,30,31)