2-[2-[(2-bromanyl-4-propan-2-yl-phenyl)-ethyl-amino]-6-methyl-pyrimidin-4-yl]benzoic acid

Systemtic Name: 2-[2-[(2-bromanyl-4-propan-2-yl-phenyl)-ethyl-amino]-6-methyl-pyrimidin-4-yl]benzoic acid Openeye Name: 2-[2-(2-bromo-N-ethyl-4-isopropyl-anilino)-6-methyl-pyrimidin-4-yl]benzoic acid CAS Name: 2-[2-(2-bromo-N-ethyl-4-propan-2-ylanilino)-6-methyl-4-pyrimidinyl]benzoic acid IUPAC Name: 2-[2-(2-bromo-N-ethyl-4-propan-2-ylanilino)-6-methylpyrimidin-4-yl]benzoic acid Traditional Name: 2-[2-(2-bromo-N-ethyl-4-isopropyl-anilino)-6-methyl-pyrimidin-4-yl]benzoic acid Formula: C23H24BrN3O2 MolecularWeight: 454.35956

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=C(C=C1)C(C)C)Br)C2=NC(=CC(=N2)C)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCN(C1=C(C=C(C=C1)C(C)C)Br)C2=NC(=CC(=N2)C)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H24BrN3O2/c1-5-27(21-11-10-16(14(2)3)13-19(21)24)23-25-15(4)12-20(26-23)17-8-6-7-9-18(17)22(28)29/h6-14H,5H2,1-4H3,(H,28,29)