ethyl 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxidanylidene-ethyl]-2-ethynyl-pyrrolidine-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxidanylidene-ethyl]-2-ethynyl-pyrrolidine-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxo-ethyl]-2-ethynyl-pyrrolidine-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-ethynyl-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-ethynylpyrrolidine-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-keto-ethyl]-2-ethynyl-pyrrolidine-3-carboxylic acid ethyl ester Formula: C26H36N2O5 MolecularWeight: 456.57444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)CN1CC(C(C1C#C)C(=O)OCC)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCN(CCCC)C(=O)CN1CC(C(C1C#C)C(=O)OCC)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C26H36N2O5/c1-5-9-13-27(14-10-6-2)24(29)17-28-16-20(25(21(28)7-3)26(30)31-8-4)19-11-12-22-23(15-19)33-18-32-22/h3,11-12,15,20-21,25H,5-6,8-10,13-14,16-18H2,1-2,4H3