(E)-but-2-enedioic acid; N,N-dimethyl-3-[1-(phenylmethyl)cycloheptyl]oxy-propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; N,N-dimethyl-3-[1-(phenylmethyl)cycloheptyl]oxy-propan-1-amine Openeye Name: 3-(1-benzylcycloheptoxy)-N,N-dimethyl-propan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-3-[1-(phenylmethyl)cycloheptyl]oxy-1-propanamine IUPAC Name: 3-(1-benzylcycloheptyl)oxy-N,N-dimethylpropan-1-amine; (E)-but-2-enedioic acid Traditional Name: 3-(1-benzylcycloheptoxy)propyl-dimethyl-amine; fumaric acid Formula: C27H39NO9 MolecularWeight: 521.59986

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC1(CCCCCC1)CC2=CC=CC=C2.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(CCCOC1(CCCCCC1)CC2=CC=CC=C2)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H31NO.2C4H4O4/c1-20(2)15-10-16-21-19(13-8-3-4-9-14-19)17-18-11-6-5-7-12-18;2*5-3(6)1-2-4(7)8/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+