[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate CAS Name: 3-acetamido-3-(4-methoxyphenyl)propanoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate Traditional Name: 3-acetamido-3-(4-methoxyphenyl)propionic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)N(CCC#N)CCC#N)C1=CC=C(C=C1)OC

Isomeric SMILES

CC(=O)NC(CC(=O)OCC(=O)N(CCC#N)CCC#N)C1=CC=C(C=C1)OC

InChI

InChI=1S/C20H24N4O5/c1-15(25)23-18(16-5-7-17(28-2)8-6-16)13-20(27)29-14-19(26)24(11-3-9-21)12-4-10-22/h5-8,18H,3-4,11-14H2,1-2H3,(H,23,25)