3-[3-[(2-methylphenyl)methyl-(5-methylpyrimidin-2-yl)amino]propoxy]quinoxaline-2-carboxylic acid

Systemtic Name: 3-[3-[(2-methylphenyl)methyl-(5-methylpyrimidin-2-yl)amino]propoxy]quinoxaline-2-carboxylic acid Openeye Name: 3-[3-[(5-methylpyrimidin-2-yl)-(o-tolylmethyl)amino]propoxy]quinoxaline-2-carboxylic acid CAS Name: 3-[3-[(2-methylphenyl)methyl-(5-methyl-2-pyrimidinyl)amino]propoxy]-2-quinoxalinecarboxylic acid IUPAC Name: 3-[3-[(2-methylphenyl)methyl-(5-methylpyrimidin-2-yl)amino]propoxy]quinoxaline-2-carboxylic acid Traditional Name: 3-[3-[(2-methylbenzyl)-(5-methylpyrimidin-2-yl)amino]propoxy]quinoxaline-2-carboxylic acid Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CCCOC2=NC3=CC=CC=C3N=C2C(=O)O)C4=NC=C(C=N4)C

Isomeric SMILES

CC1=CC=CC=C1CN(CCCOC2=NC3=CC=CC=C3N=C2C(=O)O)C4=NC=C(C=N4)C

InChI

InChI=1S/C25H25N5O3/c1-17-14-26-25(27-15-17)30(16-19-9-4-3-8-18(19)2)12-7-13-33-23-22(24(31)32)28-20-10-5-6-11-21(20)29-23/h3-6,8-11,14-15H,7,12-13,16H2,1-2H3,(H,31,32)