N-(1,3-benzodioxol-5-yl)-1-[(3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[(3S)-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(3S)-5-keto-1-p-phenetyl-pyrrolidine-3-carbonyl]isonipecotamide Formula: C26H29N3O6 MolecularWeight: 479.52496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H29N3O6/c1-2-33-21-6-4-20(5-7-21)29-15-18(13-24(29)30)26(32)28-11-9-17(10-12-28)25(31)27-19-3-8-22-23(14-19)35-16-34-22/h3-8,14,17-18H,2,9-13,15-16H2,1H3,(H,27,31)/t18-/m0/s1