2-[4-[[(2-butyl-5-ethoxycarbonyl-pyrimidin-4-yl)amino]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[(2-butyl-5-ethoxycarbonyl-pyrimidin-4-yl)amino]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[(2-butyl-5-ethoxycarbonyl-pyrimidin-4-yl)amino]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[(2-butyl-5-ethoxycarbonyl-4-pyrimidinyl)amino]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[(2-butyl-5-ethoxycarbonylpyrimidin-4-yl)amino]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[(2-butyl-5-carbethoxy-pyrimidin-4-yl)amino]methyl]phenyl]benzoic acid Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(C(=N1)NCC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)OCC

Isomeric SMILES

CCCCC1=NC=C(C(=N1)NCC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)OCC

InChI

InChI=1S/C25H27N3O4/c1-3-5-10-22-26-16-21(25(31)32-4-2)23(28-22)27-15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)24(29)30/h6-9,11-14,16H,3-5,10,15H2,1-2H3,(H,29,30)(H,26,27,28)