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

Systemtic Name: 3-[4-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-2-[(2-nitro-5-piperidin-1-yl-phenyl)carbonylamino]propanoic acid Openeye Name: 3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[[2-nitro-5-(1-piperidyl)benzoyl]amino]propanoic acid CAS Name: 3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[[[2-nitro-5-(1-piperidinyl)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[(2-nitro-5-piperidin-1-ylbenzoyl)amino]propanoic acid Traditional Name: 3-[4-(2,6-dichlorobenzyl)oxyphenyl]-2-[(2-nitro-5-piperidino-benzoyl)amino]propionic acid Formula: C28H27Cl2N3O6 MolecularWeight: 572.43648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)NC(CC3=CC=C(C=C3)OCC4=C(C=CC=C4Cl)Cl)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)NC(CC3=CC=C(C=C3)OCC4=C(C=CC=C4Cl)Cl)C(=O)O

InChI

InChI=1S/C28H27Cl2N3O6/c29-23-5-4-6-24(30)22(23)17-39-20-10-7-18(8-11-20)15-25(28(35)36)31-27(34)21-16-19(9-12-26(21)33(37)38)32-13-2-1-3-14-32/h4-12,16,25H,1-3,13-15,17H2,(H,31,34)(H,35,36)