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

Systemtic Name: 4-[4-(2-azanylphenoxy)-2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]butanoic acid Openeye Name: 4-[4-(2-aminophenoxy)-2-[1-(1-naphthyl)ethylcarbamoyl]phenyl]butanoic acid CAS Name: 4-[4-(2-aminophenoxy)-2-[[1-(1-naphthalenyl)ethylamino]-oxomethyl]phenyl]butanoic acid IUPAC Name: 4-[4-(2-aminophenoxy)-2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]butanoic acid Traditional Name: 4-[4-(2-aminophenoxy)-2-[1-(1-naphthyl)ethylcarbamoyl]phenyl]butyric acid Formula: C29H28N2O4 MolecularWeight: 468.54362

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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=C4N)CCCC(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3=C(C=CC(=C3)OC4=CC=CC=C4N)CCCC(=O)O

InChI

InChI=1S/C29H28N2O4/c1-19(23-12-6-9-20-8-2-3-11-24(20)23)31-29(34)25-18-22(35-27-14-5-4-13-26(27)30)17-16-21(25)10-7-15-28(32)33/h2-6,8-9,11-14,16-19H,7,10,15,30H2,1H3,(H,31,34)(H,32,33)