4-[4-[(4-bromanylphenoxy)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid

Systemtic Name: 4-[4-[(4-bromanylphenoxy)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Openeye Name: 4-[4-[(4-bromophenoxy)methyl]-2-[2-(1-naphthyl)propanoylamino]phenyl]butanoic acid CAS Name: 4-[4-[(4-bromophenoxy)methyl]-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-[(4-bromophenoxy)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Traditional Name: 4-[4-[(4-bromophenoxy)methyl]-2-[2-(1-naphthyl)propanoylamino]phenyl]butyric acid Formula: C30H28BrNO4 MolecularWeight: 546.45162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)COC4=CC=C(C=C4)Br)CCCC(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)COC4=CC=C(C=C4)Br)CCCC(=O)O

InChI

InChI=1S/C30H28BrNO4/c1-20(26-10-4-7-22-6-2-3-9-27(22)26)30(35)32-28-18-21(12-13-23(28)8-5-11-29(33)34)19-36-25-16-14-24(31)15-17-25/h2-4,6-7,9-10,12-18,20H,5,8,11,19H2,1H3,(H,32,35)(H,33,34)