8-[2-(2-isocyanoethanoylamino)-4-[8-(prop-1-en-2-yloxymethoxy)octoxy]phenoxy]octyl 2-methylprop-2-enoate

Systemtic Name: 8-[2-(2-isocyanoethanoylamino)-4-[8-(prop-1-en-2-yloxymethoxy)octoxy]phenoxy]octyl 2-methylprop-2-enoate Openeye Name: 8-[2-[(2-isocyanoacetyl)amino]-4-[8-(isopropenyloxymethoxy)octoxy]phenoxy]octyl 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid 8-[2-[(2-isocyano-1-oxoethyl)amino]-4-[8-(1-methylethenoxymethoxy)octoxy]phenoxy]octyl ester IUPAC Name: 8-[2-[(2-isocyanoacetyl)amino]-4-[8-(prop-1-en-2-yloxymethoxy)octoxy]phenoxy]octyl 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid 8-[2-[(2-isocyanoacetyl)amino]-4-[8-(isopropenyloxymethoxy)octoxy]phenoxy]octyl ester Formula: C33H50N2O7 MolecularWeight: 586.7593

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OCCCCCCCCOC1=C(C=C(C=C1)OCCCCCCCCOCOC(=C)C)NC(=O)C[N+]#[C-]

Isomeric SMILES

CC(=C)C(=O)OCCCCCCCCOC1=C(C=C(C=C1)OCCCCCCCCOCOC(=C)C)NC(=O)C[N+]#[C-]

InChI

InChI=1S/C33H50N2O7/c1-27(2)33(37)41-23-17-13-9-8-12-16-22-40-31-19-18-29(24-30(31)35-32(36)25-34-5)39-21-15-11-7-6-10-14-20-38-26-42-28(3)4/h18-19,24H,1,3,6-17,20-23,25-26H2,2,4H3,(H,35,36)