3-[(5-bromanyl-2-methoxy-phenyl)methylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)methylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(5-bromo-2-methoxy-phenyl)methylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(5-bromo-2-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(5-bromo-2-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(5-bromo-2-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)Br)CNC(CC(=O)O)C2=CC=CS2

Isomeric SMILES

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

InChI

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