[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-[(2-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-ethoxybenzoyl)amino]-3-methyl-butyric acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C22H28N4O5/c1-4-30-18-10-6-5-9-17(18)21(28)25-20(16(2)3)22(29)31-15-19(27)26(13-7-11-23)14-8-12-24/h5-6,9-10,16,20H,4,7-8,13-15H2,1-3H3,(H,25,28)