4-[4-(3,5-dimethylphenoxy)-2-(1-naphthalen-2-ylethylcarbamoyl)phenyl]butanoic acid

Systemtic Name: 4-[4-(3,5-dimethylphenoxy)-2-(1-naphthalen-2-ylethylcarbamoyl)phenyl]butanoic acid Openeye Name: 4-[4-(3,5-dimethylphenoxy)-2-[1-(2-naphthyl)ethylcarbamoyl]phenyl]butanoic acid CAS Name: 4-[4-(3,5-dimethylphenoxy)-2-[[1-(2-naphthalenyl)ethylamino]-oxomethyl]phenyl]butanoic acid IUPAC Name: 4-[4-(3,5-dimethylphenoxy)-2-(1-naphthalen-2-ylethylcarbamoyl)phenyl]butanoic acid Traditional Name: 4-[4-(3,5-dimethylphenoxy)-2-[1-(2-naphthyl)ethylcarbamoyl]phenyl]butyric acid Formula: C31H31NO4 MolecularWeight: 481.58214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC(=C(C=C2)CCCC(=O)O)C(=O)NC(C)C3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=C(C=C2)CCCC(=O)O)C(=O)NC(C)C3=CC4=CC=CC=C4C=C3)C

InChI

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