2-(2-diethylaminoethyloxy)-4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 2-(2-diethylaminoethyloxy)-4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzoic acid Openeye Name: 2-(2-diethylaminoethyloxy)-4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzoic acid CAS Name: 2-(2-diethylaminoethyloxy)-4-[[5-(4-methoxyphenyl)-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 2-(2-diethylaminoethyloxy)-4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzoic acid Traditional Name: 2-(2-diethylaminoethyloxy)-4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzoic acid Formula: C24H28N4O4 MolecularWeight: 436.50352

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=C(C=CC(=C1)NC2=NC=C(C=N2)C3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CCN(CC)CCOC1=C(C=CC(=C1)NC2=NC=C(C=N2)C3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C24H28N4O4/c1-4-28(5-2)12-13-32-22-14-19(8-11-21(22)23(29)30)27-24-25-15-18(16-26-24)17-6-9-20(31-3)10-7-17/h6-11,14-16H,4-5,12-13H2,1-3H3,(H,29,30)(H,25,26,27)