3-[4-[1-azanyl-3-(3-bromanyl-4-chloranyl-phenyl)-1-oxidanylidene-propan-2-yl]phenyl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[4-[1-azanyl-3-(3-bromanyl-4-chloranyl-phenyl)-1-oxidanylidene-propan-2-yl]phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-[4-[2-amino-1-[(3-bromo-4-chloro-phenyl)methyl]-2-oxo-ethyl]phenyl]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[4-[1-amino-3-(3-bromo-4-chlorophenyl)-1-oxopropan-2-yl]phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[4-[1-amino-3-(3-bromo-4-chlorophenyl)-1-oxopropan-2-yl]phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-[4-[2-amino-1-(3-bromo-4-chloro-benzyl)-2-keto-ethyl]phenyl]-1-ethyl-propyl]phosphonic acid Formula: C20H24BrClNO4P MolecularWeight: 488.739621

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=C(C=C1)C(CC2=CC(=C(C=C2)Cl)Br)C(=O)N)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC=C(C=C1)C(CC2=CC(=C(C=C2)Cl)Br)C(=O)N)P(=O)(O)O

InChI

InChI=1S/C20H24BrClNO4P/c1-3-20(4-2,28(25,26)27)15-8-6-14(7-9-15)16(19(23)24)11-13-5-10-18(22)17(21)12-13/h5-10,12,16H,3-4,11H2,1-2H3,(H2,23,24)(H2,25,26,27)