(E)-but-2-enedioic acid; 3-(2-dimethylaminoethyl)-N'-(4-ethoxyphenyl)-1H-indole-5-carboximidamide

Systemtic Name: (E)-but-2-enedioic acid; 3-(2-dimethylaminoethyl)-N'-(4-ethoxyphenyl)-1H-indole-5-carboximidamide Openeye Name: 3-(2-dimethylaminoethyl)-N'-(4-ethoxyphenyl)-1H-indole-5-carboxamidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(2-dimethylaminoethyl)-N'-(4-ethoxyphenyl)-1H-indole-5-carboximidamide IUPAC Name: (E)-but-2-enedioic acid; 3-(2-dimethylaminoethyl)-N'-(4-ethoxyphenyl)-1H-indole-5-carboximidamide Traditional Name: 3-(2-dimethylaminoethyl)-N'-p-phenetyl-1H-indole-5-carboxamidine; fumaric acid Formula: C25H30N4O5 MolecularWeight: 466.5295

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=C(C2=CC3=C(C=C2)NC=C3CCN(C)C)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)N=C(C2=CC3=C(C=C2)NC=C3CCN(C)C)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H26N4O.C4H4O4/c1-4-26-18-8-6-17(7-9-18)24-21(22)15-5-10-20-19(13-15)16(14-23-20)11-12-25(2)3;5-3(6)1-2-4(7)8/h5-10,13-14,23H,4,11-12H2,1-3H3,(H2,22,24);1-2H,(H,5,6)(H,7,8)/b;2-1+