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

Systemtic Name: 3-[(5-methoxy-2-oxidanyl-phenyl)methylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(2-hydroxy-5-methoxy-phenyl)methylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(2-hydroxy-5-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(2-hydroxy-5-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(2-hydroxy-5-methoxy-benzyl)amino]-3-(2-thienyl)propionic acid Formula: C15H17NO4S MolecularWeight: 307.36478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO4S/c1-20-11-4-5-13(17)10(7-11)9-16-12(8-15(18)19)14-3-2-6-21-14/h2-7,12,16-17H,8-9H2,1H3,(H,18,19)