methyl 4-[(5-isocyanato-2-methyl-phenyl)carbamoyloxy]-3-[3-[(5-isocyanato-2-methyl-phenyl)carbamoyloxyperoxy]propyl]-2-methyl-hexanoate

Systemtic Name: methyl 4-[(5-isocyanato-2-methyl-phenyl)carbamoyloxy]-3-[3-[(5-isocyanato-2-methyl-phenyl)carbamoyloxyperoxy]propyl]-2-methyl-hexanoate Openeye Name: methyl 4-[(5-isocyanato-2-methyl-phenyl)carbamoyloxy]-3-[3-[(5-isocyanato-2-methyl-phenyl)carbamoyloxyperoxy]propyl]-2-methyl-hexanoate CAS Name: 4-[(5-isocyanato-2-methylanilino)-oxomethoxy]-3-[3-[(5-isocyanato-2-methylanilino)-oxomethoxy]dioxypropyl]-2-methylhexanoic acid methyl ester IUPAC Name: methyl 4-[(5-isocyanato-2-methylphenyl)carbamoyloxy]-3-[3-[(5-isocyanato-2-methylphenyl)carbamoyloxyperoxy]propyl]-2-methylhexanoate Traditional Name: 4-[(5-isocyanato-2-methyl-phenyl)carbamoyloxy]-3-[3-[(5-isocyanato-2-methyl-phenyl)carbamoyloxyperoxy]propyl]-2-methyl-hexanoic acid methyl ester Formula: C29H34N4O10 MolecularWeight: 598.60106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CCCOOOC(=O)NC1=C(C=CC(=C1)N=C=O)C)C(C)C(=O)OC)OC(=O)NC2=C(C=CC(=C2)N=C=O)C

Isomeric SMILES

CCC(C(CCCOOOC(=O)NC1=C(C=CC(=C1)N=C=O)C)C(C)C(=O)OC)OC(=O)NC2=C(C=CC(=C2)N=C=O)C

InChI

InChI=1S/C29H34N4O10/c1-6-26(41-28(37)32-24-14-21(30-16-34)11-9-18(24)2)23(20(4)27(36)39-5)8-7-13-40-43-42-29(38)33-25-15-22(31-17-35)12-10-19(25)3/h9-12,14-15,20,23,26H,6-8,13H2,1-5H3,(H,32,37)(H,33,38)