methyl 2-[[(4-chlorophenyl)-diphenoxyphosphoryl-methyl]carbamoylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[[(4-chlorophenyl)-diphenoxyphosphoryl-methyl]carbamoylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[(4-chlorophenyl)-diphenoxyphosphoryl-methyl]carbamoylamino]-4-methyl-pentanoate CAS Name: 2-[[[[(4-chlorophenyl)-diphenoxyphosphorylmethyl]amino]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[(4-chlorophenyl)-diphenoxyphosphorylmethyl]carbamoylamino]-4-methylpentanoate Traditional Name: 2-[[(4-chlorophenyl)-diphenoxyphosphoryl-methyl]carbamoylamino]-4-methyl-valeric acid methyl ester Formula: C27H30ClN2O6P MolecularWeight: 544.963661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)NC(C1=CC=C(C=C1)Cl)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)NC(C1=CC=C(C=C1)Cl)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C27H30ClN2O6P/c1-19(2)18-24(26(31)34-3)29-27(32)30-25(20-14-16-21(28)17-15-20)37(33,35-22-10-6-4-7-11-22)36-23-12-8-5-9-13-23/h4-17,19,24-25H,18H2,1-3H3,(H2,29,30,32)