8-phenyl-2-[4-(quinolin-2-ylmethoxy)phenyl]octanoic acid

Systemtic Name: 8-phenyl-2-[4-(quinolin-2-ylmethoxy)phenyl]octanoic acid Openeye Name: 8-phenyl-2-[4-(2-quinolylmethoxy)phenyl]octanoic acid CAS Name: 8-phenyl-2-[4-(2-quinolinylmethoxy)phenyl]octanoic acid IUPAC Name: 8-phenyl-2-[4-(quinolin-2-ylmethoxy)phenyl]octanoic acid Traditional Name: 8-phenyl-2-[4-(2-quinolylmethoxy)phenyl]caprylic acid Formula: C30H31NO3 MolecularWeight: 453.57204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCC(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCC(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C30H31NO3/c32-30(33)28(14-7-2-1-4-10-23-11-5-3-6-12-23)24-17-20-27(21-18-24)34-22-26-19-16-25-13-8-9-15-29(25)31-26/h3,5-6,8-9,11-13,15-21,28H,1-2,4,7,10,14,22H2,(H,32,33)