methyl 4-diethoxyphosphoryl-4-[3-(3-fluorophenyl)prop-2-ynyl]-2-methyl-5-oxidanylidene-1-(phenylcarbamoylamino)pyrrole-3-carboxylate

Systemtic Name: methyl 4-diethoxyphosphoryl-4-[3-(3-fluorophenyl)prop-2-ynyl]-2-methyl-5-oxidanylidene-1-(phenylcarbamoylamino)pyrrole-3-carboxylate Openeye Name: methyl 4-diethoxyphosphoryl-4-[3-(3-fluorophenyl)prop-2-ynyl]-2-methyl-5-oxo-1-(phenylcarbamoylamino)pyrrole-3-carboxylate CAS Name: 1-[[anilino(oxo)methyl]amino]-4-diethoxyphosphoryl-4-[3-(3-fluorophenyl)prop-2-ynyl]-2-methyl-5-oxo-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-diethoxyphosphoryl-4-[3-(3-fluorophenyl)prop-2-ynyl]-2-methyl-5-oxo-1-(phenylcarbamoylamino)pyrrole-3-carboxylate Traditional Name: 4-diethoxyphosphoryl-4-[3-(3-fluorophenyl)prop-2-ynyl]-5-keto-2-methyl-1-(phenylcarbamoylamino)-2-pyrroline-3-carboxylic acid methyl ester Formula: C27H29FN3O7P MolecularWeight: 557.507224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1(C(=C(N(C1=O)NC(=O)NC2=CC=CC=C2)C)C(=O)OC)CC#CC3=CC(=CC=C3)F)OCC

Isomeric SMILES

CCOP(=O)(C1(C(=C(N(C1=O)NC(=O)NC2=CC=CC=C2)C)C(=O)OC)CC#CC3=CC(=CC=C3)F)OCC

InChI

InChI=1S/C27H29FN3O7P/c1-5-37-39(35,38-6-2)27(17-11-13-20-12-10-14-21(28)18-20)23(24(32)36-4)19(3)31(25(27)33)30-26(34)29-22-15-8-7-9-16-22/h7-10,12,14-16,18H,5-6,17H2,1-4H3,(H2,29,30,34)