tert-butyl 2-[[4-(diethylcarbamoyl)phenyl]methoxy-phenyl-phosphoryl]oxyazepane-1-carboxylate

Systemtic Name: tert-butyl 2-[[4-(diethylcarbamoyl)phenyl]methoxy-phenyl-phosphoryl]oxyazepane-1-carboxylate Openeye Name: tert-butyl 2-[[4-(diethylcarbamoyl)phenyl]methoxy-phenyl-phosphoryl]oxyazepane-1-carboxylate CAS Name: 2-[[4-[diethylamino(oxo)methyl]phenyl]methoxy-phenylphosphoryl]oxy-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-(diethylcarbamoyl)phenyl]methoxy-phenylphosphoryl]oxyazepane-1-carboxylate Traditional Name: 2-[[4-(diethylcarbamoyl)benzyl]oxy-phenyl-phosphoryl]oxyazepane-1-carboxylic acid tert-butyl ester Formula: C29H41N2O6P MolecularWeight: 544.619401

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)COP(=O)(C2=CC=CC=C2)OC3CCCCCN3C(=O)OC(C)(C)C

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)COP(=O)(C2=CC=CC=C2)OC3CCCCCN3C(=O)OC(C)(C)C

InChI

InChI=1S/C29H41N2O6P/c1-6-30(7-2)27(32)24-19-17-23(18-20-24)22-35-38(34,25-14-10-8-11-15-25)37-26-16-12-9-13-21-31(26)28(33)36-29(3,4)5/h8,10-11,14-15,17-20,26H,6-7,9,12-13,16,21-22H2,1-5H3