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

Systemtic Name: 2-[5-[3-[ethyl-(5-ethylpyrimidin-2-yl)amino]propoxy]-1-methyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-[3-[ethyl-(5-ethylpyrimidin-2-yl)amino]propoxy]-1-methyl-indol-3-yl]acetic acid CAS Name: 2-[5-[3-[ethyl-(5-ethyl-2-pyrimidinyl)amino]propoxy]-1-methyl-3-indolyl]acetic acid IUPAC Name: 2-[5-[3-[ethyl-(5-ethylpyrimidin-2-yl)amino]propoxy]-1-methylindol-3-yl]acetic acid Traditional Name: 2-[5-[3-[ethyl-(5-ethylpyrimidin-2-yl)amino]propoxy]-1-methyl-indol-3-yl]acetic acid Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-4-16-13-23-22(24-14-16)26(5-2)9-6-10-29-18-7-8-20-19(12-18)17(11-21(27)28)15-25(20)3/h7-8,12-15H,4-6,9-11H2,1-3H3,(H,27,28)