2-[diethoxyphosphorylmethyl-[2-[[3-(isocyanatomethyl)phenyl]carbamoyloxy]ethyl]amino]ethyl N-[3-(isocyanatomethyl)phenyl]carbamate

Systemtic Name: 2-[diethoxyphosphorylmethyl-[2-[[3-(isocyanatomethyl)phenyl]carbamoyloxy]ethyl]amino]ethyl N-[3-(isocyanatomethyl)phenyl]carbamate Openeye Name: 2-[diethoxyphosphorylmethyl-[2-[[3-(isocyanatomethyl)phenyl]carbamoyloxy]ethyl]amino]ethyl N-[3-(isocyanatomethyl)phenyl]carbamate CAS Name: N-[3-(isocyanatomethyl)phenyl]carbamic acid 2-[diethoxyphosphorylmethyl-[2-[[3-(isocyanatomethyl)anilino]-oxomethoxy]ethyl]amino]ethyl ester IUPAC Name: 2-[diethoxyphosphorylmethyl-[2-[[3-(isocyanatomethyl)phenyl]carbamoyloxy]ethyl]amino]ethyl N-[3-(isocyanatomethyl)phenyl]carbamate Traditional Name: N-[3-(isocyanatomethyl)phenyl]carbamic acid 2-[diethoxyphosphorylmethyl-[2-[[3-(isocyanatomethyl)phenyl]carbamoyloxy]ethyl]amino]ethyl ester Formula: C27H34N5O9P MolecularWeight: 603.560721

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CN(CCOC(=O)NC1=CC=CC(=C1)CN=C=O)CCOC(=O)NC2=CC=CC(=C2)CN=C=O)OCC

Isomeric SMILES

CCOP(=O)(CN(CCOC(=O)NC1=CC=CC(=C1)CN=C=O)CCOC(=O)NC2=CC=CC(=C2)CN=C=O)OCC

InChI

InChI=1S/C27H34N5O9P/c1-3-40-42(37,41-4-2)21-32(11-13-38-26(35)30-24-9-5-7-22(15-24)17-28-19-33)12-14-39-27(36)31-25-10-6-8-23(16-25)18-29-20-34/h5-10,15-16H,3-4,11-14,17-18,21H2,1-2H3,(H,30,35)(H,31,36)