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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(3S)-1-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(3S)-1-(2-methoxy-5-methyl-phenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(3S)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(3S)-5-keto-1-(2-methoxy-5-methyl-phenyl)pyrrolidine-3-carbonyl]isonipecotamide Formula: C26H29N3O6 MolecularWeight: 479.52496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C[C@H](CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

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