[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] (2S,3S)-3-methyl-2-phenyl-pentanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] (2S,3S)-3-methyl-2-phenyl-pentanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] (2S,3S)-3-methyl-2-phenyl-pentanoate CAS Name: (2S,3S)-3-methyl-2-phenylpentanoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate Traditional Name: (2S,3S)-3-methyl-2-phenyl-valeric acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C20H25N3O3 MolecularWeight: 355.4308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)[C@@H](C1=CC=CC=C1)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C20H25N3O3/c1-3-16(2)19(17-9-5-4-6-10-17)20(25)26-15-18(24)23(13-7-11-21)14-8-12-22/h4-6,9-10,16,19H,3,7-8,13-15H2,1-2H3/t16-,19-/m0/s1