[(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-pyrrolidin-1-ylpyridine-3-carboxylate

Systemtic Name: [(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-pyrrolidin-1-ylpyridine-3-carboxylate Openeye Name: [(1S)-2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridinecarboxylic acid [(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-pyrrolidin-1-ylpyridine-3-carboxylate Traditional Name: 2-pyrrolidinonicotinic acid [(1S)-2-keto-1-methyl-2-p-phenetyl-ethyl] ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(N=CC=C2)N3CCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=C(N=CC=C2)N3CCCC3

InChI

InChI=1S/C21H24N2O4/c1-3-26-17-10-8-16(9-11-17)19(24)15(2)27-21(25)18-7-6-12-22-20(18)23-13-4-5-14-23/h6-12,15H,3-5,13-14H2,1-2H3/t15-/m0/s1