2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-3-methyl-butanoic acid Openeye Name: 2-[[5-(4-bromophenyl)-2-furyl]methylamino]-3-methyl-butanoic acid CAS Name: 2-[[5-(4-bromophenyl)-2-furanyl]methylamino]-3-methylbutanoic acid IUPAC Name: 2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-3-methylbutanoic acid Traditional Name: 2-[[5-(4-bromophenyl)-2-furyl]methylamino]-3-methyl-butyric acid Formula: C16H18BrNO3 MolecularWeight: 352.22302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC1=CC=C(O1)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)C(C(=O)O)NCC1=CC=C(O1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H18BrNO3/c1-10(2)15(16(19)20)18-9-13-7-8-14(21-13)11-3-5-12(17)6-4-11/h3-8,10,15,18H,9H2,1-2H3,(H,19,20)