2-[4-[5-[(7-chloranylquinolin-4-yl)amino]pentylsulfanyl]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[5-[(7-chloranylquinolin-4-yl)amino]pentylsulfanyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[5-[(7-chloro-4-quinolyl)amino]pentylsulfanyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[5-[(7-chloro-4-quinolinyl)amino]pentylthio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[5-[(7-chloroquinolin-4-yl)amino]pentylsulfanyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[5-[(7-chloro-4-quinolyl)amino]pentylthio]-2-methyl-phenoxy]acetic acid Formula: C23H25ClN2O3S MolecularWeight: 444.9742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCCCCCNC2=C3C=CC(=CC3=NC=C2)Cl)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SCCCCCNC2=C3C=CC(=CC3=NC=C2)Cl)OCC(=O)O

InChI

InChI=1S/C23H25ClN2O3S/c1-16-13-18(6-8-22(16)29-15-23(27)28)30-12-4-2-3-10-25-20-9-11-26-21-14-17(24)5-7-19(20)21/h5-9,11,13-14H,2-4,10,12,15H2,1H3,(H,25,26)(H,27,28)