4-[[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]amino]methyl]benzoic acid Openeye Name: 4-[[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]anilino]methyl]benzoic acid CAS Name: 4-[[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]anilino]methyl]benzoic acid IUPAC Name: 4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]anilino]methyl]benzoic acid Traditional Name: 4-[[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]anilino]methyl]benzoic acid Formula: C24H21N5O2 MolecularWeight: 411.45584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC2=CC=C(C=C2)C(=O)O)NC3=NC=CC(=N3)C4=CN=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)NCC2=CC=C(C=C2)C(=O)O)NC3=NC=CC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C24H21N5O2/c1-16-4-9-20(27-14-17-5-7-18(8-6-17)23(30)31)13-22(16)29-24-26-12-10-21(28-24)19-3-2-11-25-15-19/h2-13,15,27H,14H2,1H3,(H,30,31)(H,26,28,29)