phenethyl 4-[2-cyanoethyl-(phenylmethyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[2-cyanoethyl-(phenylmethyl)amino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[benzyl(2-cyanoethyl)amino]-4-oxo-butanoate CAS Name: 4-[2-cyanoethyl-(phenylmethyl)amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[benzyl(2-cyanoethyl)amino]-4-oxobutanoate Traditional Name: 4-[benzyl(2-cyanoethyl)amino]-4-keto-butyric acid phenethyl ester Formula: C22H24N2O3 MolecularWeight: 364.43756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C22H24N2O3/c23-15-7-16-24(18-20-10-5-2-6-11-20)21(25)12-13-22(26)27-17-14-19-8-3-1-4-9-19/h1-6,8-11H,7,12-14,16-18H2