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

Systemtic Name: 3-[6-[3-[(3-azanylpyridin-2-yl)amino]propoxy]-1H-indol-3-yl]-3-phenyl-propanoic acid Openeye Name: 3-[6-[3-[(3-amino-2-pyridyl)amino]propoxy]-1H-indol-3-yl]-3-phenyl-propanoic acid CAS Name: 3-[6-[3-[(3-amino-2-pyridinyl)amino]propoxy]-1H-indol-3-yl]-3-phenylpropanoic acid IUPAC Name: 3-[6-[3-[(3-aminopyridin-2-yl)amino]propoxy]-1H-indol-3-yl]-3-phenylpropanoic acid Traditional Name: 3-[6-[3-[(3-amino-2-pyridyl)amino]propoxy]-1H-indol-3-yl]-3-phenyl-propionic acid Formula: C25H26N4O3 MolecularWeight: 430.49894

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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

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)C2=CNC3=C2C=CC(=C3)OCCCNC4=C(C=CC=N4)N

InChI

InChI=1S/C25H26N4O3/c26-22-8-4-11-27-25(22)28-12-5-13-32-18-9-10-19-21(16-29-23(19)14-18)20(15-24(30)31)17-6-2-1-3-7-17/h1-4,6-11,14,16,20,29H,5,12-13,15,26H2,(H,27,28)(H,30,31)