2-[[2-cyclopentyl-2-[4-(quinolin-2-ylmethylsulfanyl)phenyl]ethanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-cyclopentyl-2-[4-(quinolin-2-ylmethylsulfanyl)phenyl]ethanoyl]amino]ethanoic acid Openeye Name: 2-[[2-cyclopentyl-2-[4-(2-quinolylmethylsulfanyl)phenyl]acetyl]amino]acetic acid CAS Name: 2-[[2-cyclopentyl-1-oxo-2-[4-(2-quinolinylmethylthio)phenyl]ethyl]amino]acetic acid IUPAC Name: 2-[[2-cyclopentyl-2-[4-(quinolin-2-ylmethylsulfanyl)phenyl]acetyl]amino]acetic acid Traditional Name: 2-[[2-cyclopentyl-2-[4-(2-quinolylmethylthio)phenyl]acetyl]amino]acetic acid Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=C(C=C2)SCC3=NC4=CC=CC=C4C=C3)C(=O)NCC(=O)O

Isomeric SMILES

C1CCC(C1)C(C2=CC=C(C=C2)SCC3=NC4=CC=CC=C4C=C3)C(=O)NCC(=O)O

InChI

InChI=1S/C25H26N2O3S/c28-23(29)15-26-25(30)24(18-6-1-2-7-18)19-10-13-21(14-11-19)31-16-20-12-9-17-5-3-4-8-22(17)27-20/h3-5,8-14,18,24H,1-2,6-7,15-16H2,(H,26,30)(H,28,29)