2-[4-(4-methylthiophen-2-yl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]ethanoic acid

Systemtic Name: 2-[4-(4-methylthiophen-2-yl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]ethanoic acid Openeye Name: 2-[4-(4-methyl-2-thienyl)-1-[4-(2-quinolylmethoxy)phenyl]butoxy]acetic acid CAS Name: 2-[4-(4-methyl-2-thiophenyl)-1-[4-(2-quinolinylmethoxy)phenyl]butoxy]acetic acid IUPAC Name: 2-[4-(4-methylthiophen-2-yl)-1-[4-(quinolin-2-ylmethoxy)phenyl]butoxy]acetic acid Traditional Name: 2-[4-(4-methyl-2-thienyl)-1-[4-(2-quinolylmethoxy)phenyl]butoxy]acetic acid Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)CCCC(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)OCC(=O)O

Isomeric SMILES

CC1=CSC(=C1)CCCC(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)OCC(=O)O

InChI

InChI=1S/C27H27NO4S/c1-19-15-24(33-18-19)6-4-8-26(32-17-27(29)30)21-10-13-23(14-11-21)31-16-22-12-9-20-5-2-3-7-25(20)28-22/h2-3,5,7,9-15,18,26H,4,6,8,16-17H2,1H3,(H,29,30)