(E)-but-2-enedioic acid; (2E)-N-[3-(4-methylpiperazin-1-yl)propoxy]-2-pentylidene-cyclohexan-1-imine

Systemtic Name: (E)-but-2-enedioic acid; (2E)-N-[3-(4-methylpiperazin-1-yl)propoxy]-2-pentylidene-cyclohexan-1-imine Openeye Name: fumaric acid; (2E)-N-[3-(4-methylpiperazin-1-yl)propoxy]-2-pentylidene-cyclohexanimine CAS Name: (E)-2-butenedioic acid; (2E)-N-[3-(4-methyl-1-piperazinyl)propoxy]-2-pentylidene-1-cyclohexanimine IUPAC Name: (E)-but-2-enedioic acid; (2E)-N-[3-(4-methylpiperazin-1-yl)propoxy]-2-pentylidenecyclohexan-1-imine Traditional Name: fumaric acid; (E)-3-(4-methylpiperazino)propoxy-[(2E)-2-pentylidenecyclohexylidene]amine Formula: C23H39N3O5 MolecularWeight: 437.57286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=C1CCCCC1=NOCCCN2CCN(CC2)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCC/C=C/1\CCCC\C1=N/OCCCN2CCN(CC2)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H35N3O.C4H4O4/c1-3-4-5-9-18-10-6-7-11-19(18)20-23-17-8-12-22-15-13-21(2)14-16-22;5-3(6)1-2-4(7)8/h9H,3-8,10-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b18-9+,20-19+;2-1+