tert-butyl 4-[(3R)-1-(3-chloranyl-4-methoxy-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3R)-1-(3-chloranyl-4-methoxy-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[(3R)-1-(3-chloro-4-methoxy-phenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[(3R)-1-(3-chloro-4-methoxyphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3R)-1-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[(3R)-1-(3-chloro-4-methoxy-phenyl)-5-keto-pyrrolidine-3-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H28ClN3O5 MolecularWeight: 437.91712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)[C@@H]2CC(=O)N(C2)C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C21H28ClN3O5/c1-21(2,3)30-20(28)24-9-7-23(8-10-24)19(27)14-11-18(26)25(13-14)15-5-6-17(29-4)16(22)12-15/h5-6,12,14H,7-11,13H2,1-4H3/t14-/m1/s1