[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] (2S)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: [2-[benzyl(isopropyl)amino]-2-oxo-ethyl] (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid [2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester IUPAC Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid [2-[benzyl(isopropyl)amino]-2-keto-ethyl] ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C(C)OC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N(CC1=CC=CC=C1)C(C)C)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H24N2O4/c1-16(2)24(14-19-7-5-4-6-8-19)21(25)15-27-22(26)17(3)28-20-11-9-18(13-23)10-12-20/h4-12,16-17H,14-15H2,1-3H3/t17-/m0/s1