2-[5-[(4-hydroxyphenyl)-phenyl-methyl]-2,3-dimethyl-4-(4-piperidin-1-ylbut-1-ynyl)phenyl]ethanoic acid

Systemtic Name: 2-[5-[(4-hydroxyphenyl)-phenyl-methyl]-2,3-dimethyl-4-(4-piperidin-1-ylbut-1-ynyl)phenyl]ethanoic acid Openeye Name: 2-[5-[(4-hydroxyphenyl)-phenyl-methyl]-2,3-dimethyl-4-[4-(1-piperidyl)but-1-ynyl]phenyl]acetic acid CAS Name: 2-[5-[(4-hydroxyphenyl)-phenylmethyl]-2,3-dimethyl-4-[4-(1-piperidinyl)but-1-ynyl]phenyl]acetic acid IUPAC Name: 2-[5-[(4-hydroxyphenyl)-phenylmethyl]-2,3-dimethyl-4-(4-piperidin-1-ylbut-1-ynyl)phenyl]acetic acid Traditional Name: 2-[5-[(4-hydroxyphenyl)-phenyl-methyl]-2,3-dimethyl-4-(4-piperidinobut-1-ynyl)phenyl]acetic acid Formula: C32H35NO3 MolecularWeight: 481.6252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C)C#CCCN2CCCCC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)O)CC(=O)O

Isomeric SMILES

CC1=C(C=C(C(=C1C)C#CCCN2CCCCC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)O)CC(=O)O

InChI

InChI=1S/C32H35NO3/c1-23-24(2)29(13-7-10-20-33-18-8-4-9-19-33)30(21-27(23)22-31(35)36)32(25-11-5-3-6-12-25)26-14-16-28(34)17-15-26/h3,5-6,11-12,14-17,21,32,34H,4,8-10,18-20,22H2,1-2H3,(H,35,36)