(E)-but-2-enedioic acid; N,N-dimethyl-3-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; N,N-dimethyl-3-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-amine Openeye Name: N,N-dimethyl-3-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-3-phenyl-3-(4-phenyl-1-piperazinyl)-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; N,N-dimethyl-3-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-amine Traditional Name: dimethyl-[3-phenyl-3-(4-phenylpiperazino)propyl]amine; fumaric acid Formula: C29H37N3O8 MolecularWeight: 555.61938

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(C1=CC=CC=C1)N2CCN(CC2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(CCC(N1CCN(CC1)C2=CC=CC=C2)C3=CC=CC=C3)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H29N3.2C4H4O4/c1-22(2)14-13-21(19-9-5-3-6-10-19)24-17-15-23(16-18-24)20-11-7-4-8-12-20;2*5-3(6)1-2-4(7)8/h3-12,21H,13-18H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+