tert-butyl 5-(diethoxyphosphorylmethyl)-4-(2-methoxy-2-oxidanylidene-ethyl)-3-(3-methoxy-3-oxidanylidene-propyl)-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 5-(diethoxyphosphorylmethyl)-4-(2-methoxy-2-oxidanylidene-ethyl)-3-(3-methoxy-3-oxidanylidene-propyl)-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 5-(diethoxyphosphorylmethyl)-4-(2-methoxy-2-oxo-ethyl)-3-(3-methoxy-3-oxo-propyl)-1H-pyrrole-2-carboxylate CAS Name: 5-(diethoxyphosphorylmethyl)-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(diethoxyphosphorylmethyl)-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate Traditional Name: 5-(diethoxyphosphorylmethyl)-4-(2-keto-2-methoxy-ethyl)-3-(3-keto-3-methoxy-propyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C21H34NO9P MolecularWeight: 475.469721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=C(C(=C(N1)C(=O)OC(C)(C)C)CCC(=O)OC)CC(=O)OC)OCC

Isomeric SMILES

CCOP(=O)(CC1=C(C(=C(N1)C(=O)OC(C)(C)C)CCC(=O)OC)CC(=O)OC)OCC

InChI

InChI=1S/C21H34NO9P/c1-8-29-32(26,30-9-2)13-16-15(12-18(24)28-7)14(10-11-17(23)27-6)19(22-16)20(25)31-21(3,4)5/h22H,8-13H2,1-7H3