(3S)-N-(4-chloranyl-2,5-dimethoxy-phenyl)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-(4-chloranyl-2,5-dimethoxy-phenyl)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(4-chloro-2,5-dimethoxy-phenyl)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-(4-chloro-2,5-dimethoxyphenyl)-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(4-chloro-2,5-dimethoxyphenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N-(4-chloro-2,5-dimethoxy-phenyl)-5-keto-1-p-phenetyl-pyrrolidine-3-carboxamide Formula: C21H23ClN2O5 MolecularWeight: 418.87072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC(=C(C=C3OC)Cl)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NC3=CC(=C(C=C3OC)Cl)OC

InChI

InChI=1S/C21H23ClN2O5/c1-4-29-15-7-5-14(6-8-15)24-12-13(9-20(24)25)21(26)23-17-11-18(27-2)16(22)10-19(17)28-3/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,23,26)/t13-/m0/s1