2-[[2-oxidanyl-4-(thiophen-3-ylmethoxy)phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-oxidanyl-4-(thiophen-3-ylmethoxy)phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-hydroxy-4-(3-thienylmethoxy)benzoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-hydroxy-4-(3-thiophenylmethoxy)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-hydroxy-4-(thiophen-3-ylmethoxy)benzoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-hydroxy-4-(3-thenyloxy)benzoyl]amino]-3-phenyl-propionic acid Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=C(C=C(C=C2)OCC3=CSC=C3)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=C(C=C(C=C2)OCC3=CSC=C3)O

InChI

InChI=1S/C21H19NO5S/c23-19-11-16(27-12-15-8-9-28-13-15)6-7-17(19)20(24)22-18(21(25)26)10-14-4-2-1-3-5-14/h1-9,11,13,18,23H,10,12H2,(H,22,24)(H,25,26)