(E)-but-2-enedioate; 2-(3-cyclohexa-1,3-dien-1-yl-3-ethyl-2H-indol-1-yl)-N,N-diethyl-ethanamine

Systemtic Name: (E)-but-2-enedioate; 2-(3-cyclohexa-1,3-dien-1-yl-3-ethyl-2H-indol-1-yl)-N,N-diethyl-ethanamine Openeye Name: (E)-but-2-enedioate; 2-(3-cyclohexa-1,3-dien-1-yl-3-ethyl-indolin-1-yl)-N,N-diethyl-ethanamine CAS Name: (E)-2-butenedioate; 2-[3-(1-cyclohexa-1,3-dienyl)-3-ethyl-2H-indol-1-yl]-N,N-diethylethanamine IUPAC Name: (E)-but-2-enedioate; 2-(3-cyclohexa-1,3-dien-1-yl-3-ethyl-2H-indol-1-yl)-N,N-diethylethanamine Traditional Name: 2-(3-cyclohexa-1,3-dien-1-yl-3-ethyl-indolin-1-yl)ethyl-diethyl-amine fumarate Formula: C26H34N2O4-2 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CN(C2=CC=CC=C21)CCN(CC)CC)C3=CC=CCC3.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC1(CN(C2=CC=CC=C21)CCN(CC)CC)C3=CC=CCC3.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C22H32N2.C4H4O4/c1-4-22(19-12-8-7-9-13-19)18-24(17-16-23(5-2)6-3)21-15-11-10-14-20(21)22;5-3(6)1-2-4(7)8/h7-8,10-12,14-15H,4-6,9,13,16-18H2,1-3H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+