3-[(3-bromanyl-4-methoxy-phenyl)methylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)amino]-3-(2-thienyl)propionic acid Formula: C15H16BrNO3S MolecularWeight: 370.26144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(CC(=O)O)C2=CC=CS2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(CC(=O)O)C2=CC=CS2)Br

InChI

InChI=1S/C15H16BrNO3S/c1-20-13-5-4-10(7-11(13)16)9-17-12(8-15(18)19)14-3-2-6-21-14/h2-7,12,17H,8-9H2,1H3,(H,18,19)