(E)-but-2-enedioic acid; N2,N2-dimethyl-N1-(phenylmethyl)cyclooctane-1,2-diamine

Systemtic Name: (E)-but-2-enedioic acid; N2,N2-dimethyl-N1-(phenylmethyl)cyclooctane-1,2-diamine Openeye Name: N1-benzyl-N2,N2-dimethyl-cyclooctane-1,2-diamine; fumaric acid CAS Name: (E)-2-butenedioic acid; N2,N2-dimethyl-N1-(phenylmethyl)cyclooctane-1,2-diamine IUPAC Name: 1-N-benzyl-2-N,2-N-dimethylcyclooctane-1,2-diamine; (E)-but-2-enedioic acid Traditional Name: [2-(benzylamino)cyclooctyl]-dimethyl-amine; fumaric acid Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCCCCCC1NCC2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)C1CCCCCCC1NCC2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H28N2.C4H4O4/c1-19(2)17-13-9-4-3-8-12-16(17)18-14-15-10-6-5-7-11-15;5-3(6)1-2-4(7)8/h5-7,10-11,16-18H,3-4,8-9,12-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+