3-[1-(4-bromophenyl)propylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[1-(4-bromophenyl)propylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[1-(4-bromophenyl)propylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[1-(4-bromophenyl)propylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[1-(4-bromophenyl)propylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[1-(4-bromophenyl)propylamino]-3-(2-thienyl)propionic acid Formula: C16H18BrNO2S MolecularWeight: 368.28862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)NC(CC(=O)O)C2=CC=CS2

Isomeric SMILES

CCC(C1=CC=C(C=C1)Br)NC(CC(=O)O)C2=CC=CS2

InChI

InChI=1S/C16H18BrNO2S/c1-2-13(11-5-7-12(17)8-6-11)18-14(10-16(19)20)15-4-3-9-21-15/h3-9,13-14,18H,2,10H2,1H3,(H,19,20)