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

Systemtic Name: 4-[4-(3,4-dimethylphenoxy)-2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]butanoic acid Openeye Name: 4-[4-(3,4-dimethylphenoxy)-2-[1-(1-naphthyl)ethylcarbamoyl]phenyl]butanoic acid CAS Name: 4-[4-(3,4-dimethylphenoxy)-2-[[1-(1-naphthalenyl)ethylamino]-oxomethyl]phenyl]butanoic acid IUPAC Name: 4-[4-(3,4-dimethylphenoxy)-2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]butanoic acid Traditional Name: 4-[4-(3,4-dimethylphenoxy)-2-[1-(1-naphthyl)ethylcarbamoyl]phenyl]butyric acid Formula: C31H31NO4 MolecularWeight: 481.58214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=CC(=C(C=C2)CCCC(=O)O)C(=O)NC(C)C3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=CC(=C(C=C2)CCCC(=O)O)C(=O)NC(C)C3=CC=CC4=CC=CC=C43)C

InChI

InChI=1S/C31H31NO4/c1-20-14-16-25(18-21(20)2)36-26-17-15-24(10-7-13-30(33)34)29(19-26)31(35)32-22(3)27-12-6-9-23-8-4-5-11-28(23)27/h4-6,8-9,11-12,14-19,22H,7,10,13H2,1-3H3,(H,32,35)(H,33,34)