methyl 2-[[4-[2-(butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]furan-3-carboxylate

Systemtic Name: methyl 2-[[4-[2-(butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]furan-3-carboxylate Openeye Name: methyl 2-[[4-[2-(butylamino)-2-oxo-ethyl]piperazin-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[4-[2-(butylamino)-2-oxoethyl]-1-piperazinyl]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[[4-[2-(butylamino)-2-keto-ethyl]piperazino]methyl]furan-3-carboxylic acid methyl ester Formula: C17H27N3O4 MolecularWeight: 337.41398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1CCN(CC1)CC2=C(C=CO2)C(=O)OC

Isomeric SMILES

CCCCNC(=O)CN1CCN(CC1)CC2=C(C=CO2)C(=O)OC

InChI

InChI=1S/C17H27N3O4/c1-3-4-6-18-16(21)13-20-9-7-19(8-10-20)12-15-14(5-11-24-15)17(22)23-2/h5,11H,3-4,6-10,12-13H2,1-2H3,(H,18,21)