4-[4-(3-methylsulfanylphenoxy)-2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]butanoic acid

Systemtic Name: 4-[4-(3-methylsulfanylphenoxy)-2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]butanoic acid Openeye Name: 4-[4-(3-methylsulfanylphenoxy)-2-[1-(1-naphthyl)ethylcarbamoyl]phenyl]butanoic acid CAS Name: 4-[4-[3-(methylthio)phenoxy]-2-[[1-(1-naphthalenyl)ethylamino]-oxomethyl]phenyl]butanoic acid IUPAC Name: 4-[4-(3-methylsulfanylphenoxy)-2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]butanoic acid Traditional Name: 4-[4-[3-(methylthio)phenoxy]-2-[1-(1-naphthyl)ethylcarbamoyl]phenyl]butyric acid Formula: C30H29NO4S MolecularWeight: 499.62056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=C(C=CC(=C3)OC4=CC(=CC=C4)SC)CCCC(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=C(C=CC(=C3)OC4=CC(=CC=C4)SC)CCCC(=O)O

InChI

InChI=1S/C30H29NO4S/c1-20(26-14-5-9-21-8-3-4-13-27(21)26)31-30(34)28-19-24(17-16-22(28)10-6-15-29(32)33)35-23-11-7-12-25(18-23)36-2/h3-5,7-9,11-14,16-20H,6,10,15H2,1-2H3,(H,31,34)(H,32,33)