[(1S)-3-ethoxy-3-oxidanylidene-1-pyridin-4-yl-propyl] (2S)-2-(dimethylamino)-3-phenyl-propanoate

Systemtic Name: [(1S)-3-ethoxy-3-oxidanylidene-1-pyridin-4-yl-propyl] (2S)-2-(dimethylamino)-3-phenyl-propanoate Openeye Name: [(1S)-3-ethoxy-3-oxo-1-(4-pyridyl)propyl] (2S)-2-(dimethylamino)-3-phenyl-propanoate CAS Name: (2S)-2-(dimethylamino)-3-phenylpropanoic acid [(1S)-3-ethoxy-3-oxo-1-pyridin-4-ylpropyl] ester IUPAC Name: [(1S)-3-ethoxy-3-oxo-1-pyridin-4-ylpropyl] (2S)-2-(dimethylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(dimethylamino)-3-phenyl-propionic acid [(1S)-3-ethoxy-3-keto-1-(4-pyridyl)propyl] ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=NC=C1)OC(=O)C(CC2=CC=CC=C2)N(C)C

Isomeric SMILES

CCOC(=O)C[C@@H](C1=CC=NC=C1)OC(=O)[C@H](CC2=CC=CC=C2)N(C)C

InChI

InChI=1S/C21H26N2O4/c1-4-26-20(24)15-19(17-10-12-22-13-11-17)27-21(25)18(23(2)3)14-16-8-6-5-7-9-16/h5-13,18-19H,4,14-15H2,1-3H3/t18-,19-/m0/s1