2-[(4-bromophenyl)methyl]-3-[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]propanoate

Systemtic Name: 2-[(4-bromophenyl)methyl]-3-[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]propanoate Openeye Name: 2-[[benzyloxycarbonylaminomethyl(hydroxy)phosphoryl]methyl]-3-(4-bromophenyl)propanoate CAS Name: 2-[(4-bromophenyl)methyl]-3-[hydroxy(phenylmethoxycarbonylaminomethyl)phosphoryl]propanoate IUPAC Name: 2-[(4-bromophenyl)methyl]-3-[hydroxy(phenylmethoxycarbonylaminomethyl)phosphoryl]propanoate Traditional Name: 2-[[benzyloxycarbonylaminomethyl(hydroxy)phosphoryl]methyl]-3-(4-bromophenyl)propionate Formula: C19H20BrNO6P- MolecularWeight: 469.242961

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCP(=O)(CC(CC2=CC=C(C=C2)Br)C(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCP(=O)(CC(CC2=CC=C(C=C2)Br)C(=O)[O-])O

InChI

InChI=1S/C19H21BrNO6P/c20-17-8-6-14(7-9-17)10-16(18(22)23)12-28(25,26)13-21-19(24)27-11-15-4-2-1-3-5-15/h1-9,16H,10-13H2,(H,21,24)(H,22,23)(H,25,26)/p-1