methyl 5-[[4-[2-(butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]-3-methyl-furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[2-(butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]-3-methyl-furan-2-carboxylate Openeye Name: methyl 5-[[4-[2-(butylamino)-2-oxo-ethyl]piperazin-1-yl]methyl]-3-methyl-furan-2-carboxylate CAS Name: 5-[[4-[2-(butylamino)-2-oxoethyl]-1-piperazinyl]methyl]-3-methyl-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-3-methylfuran-2-carboxylate Traditional Name: 5-[[4-[2-(butylamino)-2-keto-ethyl]piperazino]methyl]-3-methyl-furan-2-carboxylic acid methyl ester Formula: C18H29N3O4 MolecularWeight: 351.44056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1CCN(CC1)CC2=CC(=C(O2)C(=O)OC)C

Isomeric SMILES

CCCCNC(=O)CN1CCN(CC1)CC2=CC(=C(O2)C(=O)OC)C

InChI

InChI=1S/C18H29N3O4/c1-4-5-6-19-16(22)13-21-9-7-20(8-10-21)12-15-11-14(2)17(25-15)18(23)24-3/h11H,4-10,12-13H2,1-3H3,(H,19,22)