4-[(4-bromanylnaphthalen-1-yl)-hexanoyl-amino]butanoic acid

Systemtic Name: 4-[(4-bromanylnaphthalen-1-yl)-hexanoyl-amino]butanoic acid Openeye Name: 4-[(4-bromo-1-naphthyl)-hexanoyl-amino]butanoic acid CAS Name: 4-[(4-bromo-1-naphthalenyl)-(1-oxohexyl)amino]butanoic acid IUPAC Name: 4-[(4-bromonaphthalen-1-yl)-hexanoylamino]butanoic acid Traditional Name: 4-[(4-bromo-1-naphthyl)-caproyl-amino]butyric acid Formula: C20H24BrNO3 MolecularWeight: 406.31346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(CCCC(=O)O)C1=CC=C(C2=CC=CC=C21)Br

Isomeric SMILES

CCCCCC(=O)N(CCCC(=O)O)C1=CC=C(C2=CC=CC=C21)Br

InChI

InChI=1S/C20H24BrNO3/c1-2-3-4-10-19(23)22(14-7-11-20(24)25)18-13-12-17(21)15-8-5-6-9-16(15)18/h5-6,8-9,12-13H,2-4,7,10-11,14H2,1H3,(H,24,25)