ethyl 3-ethylperoxy-2-[4-[2-isocyanato-3-oxidanylidene-3-(pentylamino)propyl]phenoxy]propanoate

Systemtic Name: ethyl 3-ethylperoxy-2-[4-[2-isocyanato-3-oxidanylidene-3-(pentylamino)propyl]phenoxy]propanoate Openeye Name: ethyl 3-ethylperoxy-2-[4-[2-isocyanato-3-oxo-3-(pentylamino)propyl]phenoxy]propanoate CAS Name: 3-ethyldioxy-2-[4-[2-isocyanato-3-oxo-3-(pentylamino)propyl]phenoxy]propanoic acid ethyl ester IUPAC Name: ethyl 3-ethylperoxy-2-[4-[2-isocyanato-3-oxo-3-(pentylamino)propyl]phenoxy]propanoate Traditional Name: 2-[4-[3-(amylamino)-2-isocyanato-3-keto-propyl]phenoxy]-3-ethylperoxy-propionic acid ethyl ester Formula: C22H32N2O7 MolecularWeight: 436.49868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC1=CC=C(C=C1)OC(COOCC)C(=O)OCC)N=C=O

Isomeric SMILES

CCCCCNC(=O)C(CC1=CC=C(C=C1)OC(COOCC)C(=O)OCC)N=C=O

InChI

InChI=1S/C22H32N2O7/c1-4-7-8-13-23-21(26)19(24-16-25)14-17-9-11-18(12-10-17)31-20(15-30-29-6-3)22(27)28-5-2/h9-12,19-20H,4-8,13-15H2,1-3H3,(H,23,26)