2-[[5-chloranyl-2-(2,2-dimethylpropylamino)phenyl]-naphthalen-1-yl-methyl]sulfanylethanoic acid

Systemtic Name: 2-[[5-chloranyl-2-(2,2-dimethylpropylamino)phenyl]-naphthalen-1-yl-methyl]sulfanylethanoic acid Openeye Name: 2-[[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-(1-naphthyl)methyl]sulfanylacetic acid CAS Name: 2-[[[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-(1-naphthalenyl)methyl]thio]acetic acid IUPAC Name: 2-[[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-naphthalen-1-ylmethyl]sulfanylacetic acid Traditional Name: 2-[[[5-chloro-2-(neopentylamino)phenyl]-(1-naphthyl)methyl]thio]acetic acid Formula: C24H26ClNO2S MolecularWeight: 427.98674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=C(C=C(C=C1)Cl)C(C2=CC=CC3=CC=CC=C32)SCC(=O)O

Isomeric SMILES

CC(C)(C)CNC1=C(C=C(C=C1)Cl)C(C2=CC=CC3=CC=CC=C32)SCC(=O)O

InChI

InChI=1S/C24H26ClNO2S/c1-24(2,3)15-26-21-12-11-17(25)13-20(21)23(29-14-22(27)28)19-10-6-8-16-7-4-5-9-18(16)19/h4-13,23,26H,14-15H2,1-3H3,(H,27,28)