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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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