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

Systemtic Name: methyl 3-methyl-5-[[4-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[2-(isobutylamino)-2-oxo-ethyl]piperazin-1-yl]methyl]-3-methyl-furan-2-carboxylate CAS Name: 3-methyl-5-[[4-[2-(2-methylpropylamino)-2-oxoethyl]-1-piperazinyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-methyl-5-[[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[2-(isobutylamino)-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:

CC1=C(OC(=C1)CN2CCN(CC2)CC(=O)NCC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)CN2CCN(CC2)CC(=O)NCC(C)C)C(=O)OC

InChI

InChI=1S/C18H29N3O4/c1-13(2)10-19-16(22)12-21-7-5-20(6-8-21)11-15-9-14(3)17(25-15)18(23)24-4/h9,13H,5-8,10-12H2,1-4H3,(H,19,22)