methyl (2S)-2-[3-[2-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-pyrrolidin-2-yl]propanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[3-[2-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-pyrrolidin-2-yl]propanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[3-[2-(1,3-benzodioxol-5-ylmethyl)-5-oxo-pyrrolidin-2-yl]propanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-[2-(1,3-benzodioxol-5-ylmethyl)-5-oxo-2-pyrrolidinyl]-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-[2-(1,3-benzodioxol-5-ylmethyl)-5-oxopyrrolidin-2-yl]propanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[3-(5-keto-2-piperonyl-pyrrolidin-2-yl)propanoylamino]-3-phenyl-propionic acid methyl ester Formula: C25H28N2O6 MolecularWeight: 452.49962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CCC2(CCC(=O)N2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCC2(CCC(=O)N2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H28N2O6/c1-31-24(30)19(13-17-5-3-2-4-6-17)26-22(28)9-11-25(12-10-23(29)27-25)15-18-7-8-20-21(14-18)33-16-32-20/h2-8,14,19H,9-13,15-16H2,1H3,(H,26,28)(H,27,29)/t19-,25?/m0/s1