(E)-but-2-enedioic acid; 2-(6,7,8,9,10,11-hexahydrocycloocta[b]indol-5-yl)-N,N-dimethyl-ethanamine

Systemtic Name: (E)-but-2-enedioic acid; 2-(6,7,8,9,10,11-hexahydrocycloocta[b]indol-5-yl)-N,N-dimethyl-ethanamine Openeye Name: fumaric acid; 2-(6,7,8,9,10,11-hexahydrocycloocta[b]indol-5-yl)-N,N-dimethyl-ethanamine CAS Name: (E)-2-butenedioic acid; 2-(6,7,8,9,10,11-hexahydrocycloocta[b]indol-5-yl)-N,N-dimethylethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-(6,7,8,9,10,11-hexahydrocycloocta[b]indol-5-yl)-N,N-dimethylethanamine Traditional Name: fumaric acid; 2-(6,7,8,9,10,11-hexahydrocyclooct[b]indol-5-yl)ethyl-dimethyl-amine Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=C(CCCCCC2)C3=CC=CC=C31.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCN1C2=C(CCCCCC2)C3=CC=CC=C31.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H26N2.C4H4O4/c1-19(2)13-14-20-17-11-6-4-3-5-9-15(17)16-10-7-8-12-18(16)20;5-3(6)1-2-4(7)8/h7-8,10,12H,3-6,9,11,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+