(E)-but-2-enedioic acid; N,N-dimethyl-3-[phenyl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methoxy]propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; N,N-dimethyl-3-[phenyl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methoxy]propan-1-amine Openeye Name: N,N-dimethyl-3-[phenyl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methoxy]propan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-3-[phenyl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methoxy]-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; N,N-dimethyl-3-[phenyl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methoxy]propan-1-amine Traditional Name: dimethyl-[3-[phenyl(6,7,8,9-tetrahydro-5H-benzocyclohepten-3-yl)methoxy]propyl]amine; fumaric acid Formula: C27H35NO5 MolecularWeight: 453.5705

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC(C1=CC=CC=C1)C2=CC3=C(CCCCC3)C=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCCOC(C1=CC=CC=C1)C2=CC3=C(CCCCC3)C=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H31NO.C4H4O4/c1-24(2)16-9-17-25-23(20-11-6-4-7-12-20)22-15-14-19-10-5-3-8-13-21(19)18-22;5-3(6)1-2-4(7)8/h4,6-7,11-12,14-15,18,23H,3,5,8-10,13,16-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+