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

Systemtic Name: 4-[4-(4-methylsulfonylphenoxy)-2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]butanoic acid Openeye Name: 4-[4-(4-methylsulfonylphenoxy)-2-[1-(1-naphthyl)ethylcarbamoyl]phenyl]butanoic acid CAS Name: 4-[4-(4-methylsulfonylphenoxy)-2-[[1-(1-naphthalenyl)ethylamino]-oxomethyl]phenyl]butanoic acid IUPAC Name: 4-[4-(4-methylsulfonylphenoxy)-2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]butanoic acid Traditional Name: 4-[4-(4-mesylphenoxy)-2-[1-(1-naphthyl)ethylcarbamoyl]phenyl]butyric acid Formula: C30H29NO6S MolecularWeight: 531.61936

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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=C(C=C4)S(=O)(=O)C)CCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C30H29NO6S/c1-20(26-11-5-8-21-7-3-4-10-27(21)26)31-30(34)28-19-24(14-13-22(28)9-6-12-29(32)33)37-23-15-17-25(18-16-23)38(2,35)36/h3-5,7-8,10-11,13-20H,6,9,12H2,1-2H3,(H,31,34)(H,32,33)