ethyl 1-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate CAS Name: 1-[[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]amino]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate Traditional Name: 1-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrolidin-3-yl]carbamoyl]isonipecotic acid ethyl ester Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)NC2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)NC2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H27N3O6/c1-2-28-20(26)14-5-7-23(8-6-14)21(27)22-15-11-19(25)24(13-15)16-3-4-17-18(12-16)30-10-9-29-17/h3-4,12,14-15H,2,5-11,13H2,1H3,(H,22,27)