(E)-but-2-enedioic acid; N-ethyl-1-(phenylmethyl)indol-3-amine

Systemtic Name: (E)-but-2-enedioic acid; N-ethyl-1-(phenylmethyl)indol-3-amine Openeye Name: 1-benzyl-N-ethyl-indol-3-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N-ethyl-1-(phenylmethyl)-3-indolamine IUPAC Name: 1-benzyl-N-ethylindol-3-amine; (E)-but-2-enedioic acid Traditional Name: (1-benzylindol-3-yl)-ethyl-amine; fumaric acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CN(C2=CC=CC=C21)CC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCNC1=CN(C2=CC=CC=C21)CC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H18N2.C4H4O4/c1-2-18-16-13-19(12-14-8-4-3-5-9-14)17-11-7-6-10-15(16)17;5-3(6)1-2-4(7)8/h3-11,13,18H,2,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+