1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-oxidanyl-methyl]-5-phenyl-pentyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-oxidanyl-methyl]-5-phenyl-pentyl]pyrazole-3-carboxylic acid Openeye Name: 1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-phenyl-pentyl]pyrazole-3-carboxylic acid CAS Name: 1-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-phenylpentyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-phenylpentyl]pyrazole-3-carboxylic acid Traditional Name: 1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-phenyl-pentyl]pyrazole-3-carboxylic acid Formula: C25H30N2O5 MolecularWeight: 438.5161

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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)C(=O)O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O5/c1-17-22(31-2)14-20(15-23(17)32-3)24(28)19(11-7-10-18-8-5-4-6-9-18)16-27-13-12-21(26-27)25(29)30/h4-6,8-9,12-15,19,24,28H,7,10-11,16H2,1-3H3,(H,29,30)