3-[4-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-2-[[5-(thiophen-2-ylmethylcarbamoyl)-1,3-dioxolan-4-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[4-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-2-[[5-(thiophen-2-ylmethylcarbamoyl)-1,3-dioxolan-4-yl]carbonylamino]propanoic acid Openeye Name: 3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[[5-(2-thienylmethylcarbamoyl)-1,3-dioxolane-4-carbonyl]amino]propanoic acid CAS Name: 3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[[oxo-[5-[oxo-(thiophen-2-ylmethylamino)methyl]-1,3-dioxolan-4-yl]methyl]amino]propanoic acid IUPAC Name: 3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[[5-(thiophen-2-ylmethylcarbamoyl)-1,3-dioxolane-4-carbonyl]amino]propanoic acid Traditional Name: 3-[4-(2,6-dichlorobenzyl)oxyphenyl]-2-[[5-(2-thenylcarbamoyl)-1,3-dioxolane-4-carbonyl]amino]propionic acid Formula: C26H24Cl2N2O7S MolecularWeight: 579.44896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC(C(O1)C(=O)NC(CC2=CC=C(C=C2)OCC3=C(C=CC=C3Cl)Cl)C(=O)O)C(=O)NCC4=CC=CS4

Isomeric SMILES

C1OC(C(O1)C(=O)NC(CC2=CC=C(C=C2)OCC3=C(C=CC=C3Cl)Cl)C(=O)O)C(=O)NCC4=CC=CS4

InChI

InChI=1S/C26H24Cl2N2O7S/c27-19-4-1-5-20(28)18(19)13-35-16-8-6-15(7-9-16)11-21(26(33)34)30-25(32)23-22(36-14-37-23)24(31)29-12-17-3-2-10-38-17/h1-10,21-23H,11-14H2,(H,29,31)(H,30,32)(H,33,34)