(3S)-N-(5-tert-butyl-2-methoxy-phenyl)-1-(4-chlorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-(5-tert-butyl-2-methoxy-phenyl)-1-(4-chlorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(5-tert-butyl-2-methoxy-phenyl)-1-(4-chlorophenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-(5-tert-butyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(5-tert-butyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N-(5-tert-butyl-2-methoxy-phenyl)-1-(4-chlorophenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)[C@H]2CC(=O)N(C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN2O3/c1-22(2,3)15-5-10-19(28-4)18(12-15)24-21(27)14-11-20(26)25(13-14)17-8-6-16(23)7-9-17/h5-10,12,14H,11,13H2,1-4H3,(H,24,27)/t14-/m0/s1