(E)-but-2-enedioic acid; N-methyl-3-(4-methylpiperazin-1-yl)-3-phenyl-propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-3-(4-methylpiperazin-1-yl)-3-phenyl-propan-1-amine Openeye Name: fumaric acid; N-methyl-3-(4-methylpiperazin-1-yl)-3-phenyl-propan-1-amine CAS Name: (E)-2-butenedioic acid; N-methyl-3-(4-methyl-1-piperazinyl)-3-phenyl-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; N-methyl-3-(4-methylpiperazin-1-yl)-3-phenylpropan-1-amine Traditional Name: fumaric acid; methyl-[3-(4-methylpiperazino)-3-phenyl-propyl]amine Formula: C23H33N3O8 MolecularWeight: 479.52342

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C1=CC=CC=C1)N2CCN(CC2)C.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNCCC(N1CCN(CC1)C)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H25N3.2C4H4O4/c1-16-9-8-15(14-6-4-3-5-7-14)18-12-10-17(2)11-13-18;2*5-3(6)1-2-4(7)8/h3-7,15-16H,8-13H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+