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

Systemtic Name: 3-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(4-hydroxy-3-methoxy-phenyl)methylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(4-hydroxy-3-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(4-hydroxy-3-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-(2-thienyl)-3-(vanillylamino)propionic acid Formula: C15H17NO4S MolecularWeight: 307.36478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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