N-(1,3-benzodioxol-5-yl)-1-[(3R)-1-(5-chloranyl-2-methoxy-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(3R)-1-(5-chloranyl-2-methoxy-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(3R)-1-(5-chloro-2-methoxy-phenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[(3R)-1-(5-chloro-2-methoxyphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(3R)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(3R)-1-(5-chloro-2-methoxy-phenyl)-5-keto-pyrrolidine-3-carbonyl]isonipecotamide Formula: C25H26ClN3O6 MolecularWeight: 499.94344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C[C@@H](CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H26ClN3O6/c1-33-20-4-2-17(26)11-19(20)29-13-16(10-23(29)30)25(32)28-8-6-15(7-9-28)24(31)27-18-3-5-21-22(12-18)35-14-34-21/h2-5,11-12,15-16H,6-10,13-14H2,1H3,(H,27,31)/t16-/m1/s1