methyl 3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrolidine-3-carbonyl]amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C25H27N3O6 MolecularWeight: 465.49838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H27N3O6/c1-32-25(31)16-4-6-20(27-8-2-3-9-27)19(12-16)26-24(30)17-13-23(29)28(15-17)18-5-7-21-22(14-18)34-11-10-33-21/h4-7,12,14,17H,2-3,8-11,13,15H2,1H3,(H,26,30)