3-[4-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-2-[[2-nitro-5-[propyl-[4-(propylamino)butyl]amino]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[4-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-2-[[2-nitro-5-[propyl-[4-(propylamino)butyl]amino]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[[2-nitro-5-[propyl-[4-(propylamino)butyl]amino]benzoyl]amino]propanoic acid CAS Name: 3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[[[2-nitro-5-[propyl-[4-(propylamino)butyl]amino]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[[2-nitro-5-[propyl-[4-(propylamino)butyl]amino]benzoyl]amino]propanoic acid Traditional Name: 3-[4-(2,6-dichlorobenzyl)oxyphenyl]-2-[[2-nitro-5-[propyl-[4-(propylamino)butyl]amino]benzoyl]amino]propionic acid Formula: C33H40Cl2N4O6 MolecularWeight: 659.5999

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCCCCN(CCC)C1=CC(=C(C=C1)[N+](=O)[O-])C(=O)NC(CC2=CC=C(C=C2)OCC3=C(C=CC=C3Cl)Cl)C(=O)O

Isomeric SMILES

CCCNCCCCN(CCC)C1=CC(=C(C=C1)[N+](=O)[O-])C(=O)NC(CC2=CC=C(C=C2)OCC3=C(C=CC=C3Cl)Cl)C(=O)O

InChI

InChI=1S/C33H40Cl2N4O6/c1-3-16-36-17-5-6-19-38(18-4-2)24-12-15-31(39(43)44)26(21-24)32(40)37-30(33(41)42)20-23-10-13-25(14-11-23)45-22-27-28(34)8-7-9-29(27)35/h7-15,21,30,36H,3-6,16-20,22H2,1-2H3,(H,37,40)(H,41,42)