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

Systemtic Name: 3-[6-[3-[(3-acetamidopyridin-2-yl)amino]propoxy]-1H-indol-3-yl]-3-phenyl-propanoic acid Openeye Name: 3-[6-[3-[(3-acetamido-2-pyridyl)amino]propoxy]-1H-indol-3-yl]-3-phenyl-propanoic acid CAS Name: 3-[6-[3-[(3-acetamido-2-pyridinyl)amino]propoxy]-1H-indol-3-yl]-3-phenylpropanoic acid IUPAC Name: 3-[6-[3-[(3-acetamidopyridin-2-yl)amino]propoxy]-1H-indol-3-yl]-3-phenylpropanoic acid Traditional Name: 3-[6-[3-[(3-acetamido-2-pyridyl)amino]propoxy]-1H-indol-3-yl]-3-phenyl-propionic acid Formula: C27H28N4O4 MolecularWeight: 472.53562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(N=CC=C1)NCCCOC2=CC3=C(C=C2)C(=CN3)C(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=C(N=CC=C1)NCCCOC2=CC3=C(C=C2)C(=CN3)C(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O4/c1-18(32)31-24-9-5-12-28-27(24)29-13-6-14-35-20-10-11-21-23(17-30-25(21)15-20)22(16-26(33)34)19-7-3-2-4-8-19/h2-5,7-12,15,17,22,30H,6,13-14,16H2,1H3,(H,28,29)(H,31,32)(H,33,34)