ethyl 2-(2-bromanyl-4,5-dimethoxy-phenyl)-2-[diethoxyphosphoryl-[2-(3,4-dimethoxyphenyl)ethyl]amino]ethanoate

Systemtic Name: ethyl 2-(2-bromanyl-4,5-dimethoxy-phenyl)-2-[diethoxyphosphoryl-[2-(3,4-dimethoxyphenyl)ethyl]amino]ethanoate Openeye Name: ethyl 2-(2-bromo-4,5-dimethoxy-phenyl)-2-[diethoxyphosphoryl-[2-(3,4-dimethoxyphenyl)ethyl]amino]acetate CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)-2-[diethoxyphosphoryl-[2-(3,4-dimethoxyphenyl)ethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-bromo-4,5-dimethoxyphenyl)-2-[diethoxyphosphoryl-[2-(3,4-dimethoxyphenyl)ethyl]amino]acetate Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)-2-[diethoxyphosphoryl(homoveratryl)amino]acetic acid ethyl ester Formula: C26H37BrNO9P MolecularWeight: 618.451041

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC(=C(C=C1Br)OC)OC)N(CCC2=CC(=C(C=C2)OC)OC)P(=O)(OCC)OCC

Isomeric SMILES

CCOC(=O)C(C1=CC(=C(C=C1Br)OC)OC)N(CCC2=CC(=C(C=C2)OC)OC)P(=O)(OCC)OCC

InChI

InChI=1S/C26H37BrNO9P/c1-8-35-26(29)25(19-16-23(33-6)24(34-7)17-20(19)27)28(38(30,36-9-2)37-10-3)14-13-18-11-12-21(31-4)22(15-18)32-5/h11-12,15-17,25H,8-10,13-14H2,1-7H3