(E)-1-(4-bromophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hept-1-en-3-imine; (E)-but-2-enedioic acid

Systemtic Name: (E)-1-(4-bromophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hept-1-en-3-imine; (E)-but-2-enedioic acid Openeye Name: (E)-1-(4-bromophenyl)-6-methyl-N-[3-(1-piperidyl)propoxy]hept-1-en-3-imine; fumaric acid CAS Name: (E)-1-(4-bromophenyl)-6-methyl-N-[3-(1-piperidinyl)propoxy]-1-hepten-3-imine; (E)-2-butenedioic acid IUPAC Name: (E)-1-(4-bromophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hept-1-en-3-imine; (E)-but-2-enedioic acid Traditional Name: (E)-[(E)-3-(4-bromophenyl)-1-isoamyl-prop-2-enylidene]-(3-piperidinopropoxy)amine; fumaric acid Formula: C26H37BrN2O5 MolecularWeight: 537.48638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=NOCCCN1CCCCC1)C=CC2=CC=C(C=C2)Br.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC/C(=N\OCCCN1CCCCC1)/C=C/C2=CC=C(C=C2)Br.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H33BrN2O.C4H4O4/c1-19(2)7-13-22(14-10-20-8-11-21(23)12-9-20)24-26-18-6-17-25-15-4-3-5-16-25;5-3(6)1-2-4(7)8/h8-12,14,19H,3-7,13,15-18H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b14-10+,24-22+;2-1+