[2-[3-[3-[(4-isocyanatopiperidin-1-yl)methyl]phenoxy]propylamino]-2-oxidanylidene-ethyl] ethanoate

Systemtic Name: [2-[3-[3-[(4-isocyanatopiperidin-1-yl)methyl]phenoxy]propylamino]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[3-[3-[(4-isocyanato-1-piperidyl)methyl]phenoxy]propylamino]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[3-[3-[(4-isocyanato-1-piperidinyl)methyl]phenoxy]propylamino]-2-oxoethyl] ester IUPAC Name: [2-[3-[3-[(4-isocyanatopiperidin-1-yl)methyl]phenoxy]propylamino]-2-oxoethyl] acetate Traditional Name: acetic acid [2-[3-[3-[(4-isocyanatopiperidino)methyl]phenoxy]propylamino]-2-keto-ethyl] ester Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)NCCCOC1=CC=CC(=C1)CN2CCC(CC2)N=C=O

Isomeric SMILES

CC(=O)OCC(=O)NCCCOC1=CC=CC(=C1)CN2CCC(CC2)N=C=O

InChI

InChI=1S/C20H27N3O5/c1-16(25)28-14-20(26)21-8-3-11-27-19-5-2-4-17(12-19)13-23-9-6-18(7-10-23)22-15-24/h2,4-5,12,18H,3,6-11,13-14H2,1H3,(H,21,26)