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

Systemtic Name: 2-[1-methyl-5-[3-[methyl-(5-methylpyrimidin-2-yl)amino]propoxy]indol-3-yl]ethanoic acid Openeye Name: 2-[1-methyl-5-[3-[methyl-(5-methylpyrimidin-2-yl)amino]propoxy]indol-3-yl]acetic acid CAS Name: 2-[1-methyl-5-[3-[methyl-(5-methyl-2-pyrimidinyl)amino]propoxy]-3-indolyl]acetic acid IUPAC Name: 2-[1-methyl-5-[3-[methyl-(5-methylpyrimidin-2-yl)amino]propoxy]indol-3-yl]acetic acid Traditional Name: 2-[1-methyl-5-[3-[methyl-(5-methylpyrimidin-2-yl)amino]propoxy]indol-3-yl]acetic acid Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1)N(C)CCCOC2=CC3=C(C=C2)N(C=C3CC(=O)O)C

Isomeric SMILES

CC1=CN=C(N=C1)N(C)CCCOC2=CC3=C(C=C2)N(C=C3CC(=O)O)C

InChI

InChI=1S/C20H24N4O3/c1-14-11-21-20(22-12-14)23(2)7-4-8-27-16-5-6-18-17(10-16)15(9-19(25)26)13-24(18)3/h5-6,10-13H,4,7-9H2,1-3H3,(H,25,26)