2-[2-[4-(3-cyanophenyl)phenyl]ethyl]-5-(4-phenylmethoxyphenyl)pentanoic acid

Systemtic Name: 2-[2-[4-(3-cyanophenyl)phenyl]ethyl]-5-(4-phenylmethoxyphenyl)pentanoic acid Openeye Name: 5-(4-benzyloxyphenyl)-2-[2-[4-(3-cyanophenyl)phenyl]ethyl]pentanoic acid CAS Name: 2-[2-[4-(3-cyanophenyl)phenyl]ethyl]-5-(4-phenylmethoxyphenyl)pentanoic acid IUPAC Name: 2-[2-[4-(3-cyanophenyl)phenyl]ethyl]-5-(4-phenylmethoxyphenyl)pentanoic acid Traditional Name: 5-(4-benzoxyphenyl)-2-[2-[4-(3-cyanophenyl)phenyl]ethyl]valeric acid Formula: C33H31NO3 MolecularWeight: 489.60414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CCCC(CCC3=CC=C(C=C3)C4=CC=CC(=C4)C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CCCC(CCC3=CC=C(C=C3)C4=CC=CC(=C4)C#N)C(=O)O

InChI

InChI=1S/C33H31NO3/c34-23-28-9-5-11-31(22-28)29-17-12-26(13-18-29)14-19-30(33(35)36)10-4-8-25-15-20-32(21-16-25)37-24-27-6-2-1-3-7-27/h1-3,5-7,9,11-13,15-18,20-22,30H,4,8,10,14,19,24H2,(H,35,36)