2-[[1-(2-aminophenyl)-3-diethoxyphosphoryl-propyl]amino]ethanoyl 4-chloranylbenzoate

Systemtic Name: 2-[[1-(2-aminophenyl)-3-diethoxyphosphoryl-propyl]amino]ethanoyl 4-chloranylbenzoate Openeye Name: [2-[[1-(2-aminophenyl)-3-diethoxyphosphoryl-propyl]amino]acetyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-[[1-(2-aminophenyl)-3-diethoxyphosphorylpropyl]amino]-1-oxoethyl] ester IUPAC Name: [2-[[1-(2-aminophenyl)-3-diethoxyphosphorylpropyl]amino]acetyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-[[1-(2-aminophenyl)-3-diethoxyphosphoryl-propyl]amino]acetyl] ester Formula: C22H28ClN2O6P MolecularWeight: 482.894281

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCC(C1=CC=CC=C1N)NCC(=O)OC(=O)C2=CC=C(C=C2)Cl)OCC

Isomeric SMILES

CCOP(=O)(CCC(C1=CC=CC=C1N)NCC(=O)OC(=O)C2=CC=C(C=C2)Cl)OCC

InChI

InChI=1S/C22H28ClN2O6P/c1-3-29-32(28,30-4-2)14-13-20(18-7-5-6-8-19(18)24)25-15-21(26)31-22(27)16-9-11-17(23)12-10-16/h5-12,20,25H,3-4,13-15,24H2,1-2H3