3-[6-[3-[(3-nitropyridin-2-yl)amino]propoxy]-1H-indol-3-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[6-[3-[(3-nitropyridin-2-yl)amino]propoxy]-1H-indol-3-yl]-3-phenyl-propanoic acid Openeye Name: 3-[6-[3-[(3-nitro-2-pyridyl)amino]propoxy]-1H-indol-3-yl]-3-phenyl-propanoic acid CAS Name: 3-[6-[3-[(3-nitro-2-pyridinyl)amino]propoxy]-1H-indol-3-yl]-3-phenylpropanoic acid IUPAC Name: 3-[6-[3-[(3-nitropyridin-2-yl)amino]propoxy]-1H-indol-3-yl]-3-phenylpropanoic acid Traditional Name: 3-[6-[3-[(3-nitro-2-pyridyl)amino]propoxy]-1H-indol-3-yl]-3-phenyl-propionic acid Formula: C25H24N4O5 MolecularWeight: 460.48186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)C2=CNC3=C2C=CC(=C3)OCCCNC4=C(C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)C2=CNC3=C2C=CC(=C3)OCCCNC4=C(C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C25H24N4O5/c30-24(31)15-20(17-6-2-1-3-7-17)21-16-28-22-14-18(9-10-19(21)22)34-13-5-12-27-25-23(29(32)33)8-4-11-26-25/h1-4,6-11,14,16,20,28H,5,12-13,15H2,(H,26,27)(H,30,31)