2-[methylamino-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethylamino]methylidene]propanedioate

Systemtic Name: 2-[methylamino-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethylamino]methylidene]propanedioate Openeye Name: 2-[methylamino-[2-[[5-(1-piperidylmethyl)-2-furyl]methylamino]ethylamino]methylene]propanedioate CAS Name: 2-[methylamino-[2-[[5-(1-piperidinylmethyl)-2-furanyl]methylamino]ethylamino]methylidene]propanedioate IUPAC Name: 2-[methylamino-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethylamino]methylidene]propanedioate Traditional Name: 2-[methylamino-[2-[[5-(piperidinomethyl)-2-furyl]methylamino]ethylamino]methylene]malonate Formula: C18H26N4O5-2 MolecularWeight: 378.42284

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=C(C(=O)[O-])C(=O)[O-])NCCNCC1=CC=C(O1)CN2CCCCC2

Isomeric SMILES

CNC(=C(C(=O)[O-])C(=O)[O-])NCCNCC1=CC=C(O1)CN2CCCCC2

InChI

InChI=1S/C18H28N4O5/c1-19-16(15(17(23)24)18(25)26)21-8-7-20-11-13-5-6-14(27-13)12-22-9-3-2-4-10-22/h5-6,19-21H,2-4,7-12H2,1H3,(H,23,24)(H,25,26)/p-2