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

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

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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=CC=CC(=C2C)N=C=O

Isomeric SMILES

CCC(C(CCCOOOC(=O)NC1=C(C=CC(=C1)N=C=O)C)C(C)C(=O)OC)OC(=O)NC2=CC=CC(=C2C)N=C=O

InChI

InChI=1S/C29H34N4O10/c1-6-26(41-28(37)32-24-11-7-10-23(20(24)4)31-17-35)22(19(3)27(36)39-5)9-8-14-40-43-42-29(38)33-25-15-21(30-16-34)13-12-18(25)2/h7,10-13,15,19,22,26H,6,8-9,14H2,1-5H3,(H,32,37)(H,33,38)