4-[(3-bromanyl-4-methyl-naphthalen-1-yl)-(3-methylbutanoyl)amino]butanoic acid

Systemtic Name: 4-[(3-bromanyl-4-methyl-naphthalen-1-yl)-(3-methylbutanoyl)amino]butanoic acid Openeye Name: 4-[(3-bromo-4-methyl-1-naphthyl)-(3-methylbutanoyl)amino]butanoic acid CAS Name: 4-[(3-bromo-4-methyl-1-naphthalenyl)-(3-methyl-1-oxobutyl)amino]butanoic acid IUPAC Name: 4-[(3-bromo-4-methylnaphthalen-1-yl)-(3-methylbutanoyl)amino]butanoic acid Traditional Name: 4-[(3-bromo-4-methyl-1-naphthyl)-isovaleryl-amino]butyric acid Formula: C20H24BrNO3 MolecularWeight: 406.31346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=CC=CC=C12)N(CCCC(=O)O)C(=O)CC(C)C)Br

Isomeric SMILES

CC1=C(C=C(C2=CC=CC=C12)N(CCCC(=O)O)C(=O)CC(C)C)Br

InChI

InChI=1S/C20H24BrNO3/c1-13(2)11-19(23)22(10-6-9-20(24)25)18-12-17(21)14(3)15-7-4-5-8-16(15)18/h4-5,7-8,12-13H,6,9-11H2,1-3H3,(H,24,25)