(4-bromophenyl)methoxy-[1-ethoxycarbonyl-2,3-di(propan-2-yl)-4H-pyridin-4-yl]phosphinic acid

Systemtic Name: (4-bromophenyl)methoxy-[1-ethoxycarbonyl-2,3-di(propan-2-yl)-4H-pyridin-4-yl]phosphinic acid Openeye Name: (4-bromophenyl)methoxy-(1-ethoxycarbonyl-2,3-diisopropyl-4H-pyridin-4-yl)phosphinic acid CAS Name: (4-bromophenyl)methoxy-[1-ethoxycarbonyl-2,3-di(propan-2-yl)-4H-pyridin-4-yl]phosphinic acid IUPAC Name: (4-bromophenyl)methoxy-[1-ethoxycarbonyl-2,3-di(propan-2-yl)-4H-pyridin-4-yl]phosphinic acid Traditional Name: (4-bromobenzyl)oxy-(1-carbethoxy-2,3-diisopropyl-4H-pyridin-4-yl)phosphinic acid Formula: C21H29BrNO5P MolecularWeight: 486.336421

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=CC(C(=C1C(C)C)C(C)C)P(=O)(O)OCC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)N1C=CC(C(=C1C(C)C)C(C)C)P(=O)(O)OCC2=CC=C(C=C2)Br

InChI

InChI=1S/C21H29BrNO5P/c1-6-27-21(24)23-12-11-18(19(14(2)3)20(23)15(4)5)29(25,26)28-13-16-7-9-17(22)10-8-16/h7-12,14-15,18H,6,13H2,1-5H3,(H,25,26)