2-[5-[3-[ethyl-(5-ethylpyrimidin-2-yl)amino]propoxy]-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-[3-[ethyl-(5-ethylpyrimidin-2-yl)amino]propoxy]-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[5-[3-[ethyl-(5-ethylpyrimidin-2-yl)amino]propoxy]-1H-indol-3-yl]acetic acid CAS Name: 2-[5-[3-[ethyl-(5-ethyl-2-pyrimidinyl)amino]propoxy]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-[3-[ethyl-(5-ethylpyrimidin-2-yl)amino]propoxy]-1H-indol-3-yl]acetic acid Traditional Name: 2-[5-[3-[ethyl-(5-ethylpyrimidin-2-yl)amino]propoxy]-1H-indol-3-yl]acetic acid Formula: C21H26N4O3 MolecularWeight: 382.45614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1)N(CC)CCCOC2=CC3=C(C=C2)NC=C3CC(=O)O

Isomeric SMILES

CCC1=CN=C(N=C1)N(CC)CCCOC2=CC3=C(C=C2)NC=C3CC(=O)O

InChI

InChI=1S/C21H26N4O3/c1-3-15-12-23-21(24-13-15)25(4-2)8-5-9-28-17-6-7-19-18(11-17)16(14-22-19)10-20(26)27/h6-7,11-14,22H,3-5,8-10H2,1-2H3,(H,26,27)