(E)-but-2-enedioic acid; 2-(4-chloranyl-5-methoxy-1H-indol-3-yl)ethanamine

Systemtic Name: (E)-but-2-enedioic acid; 2-(4-chloranyl-5-methoxy-1H-indol-3-yl)ethanamine Openeye Name: 2-(4-chloro-5-methoxy-1H-indol-3-yl)ethanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(4-chloro-5-methoxy-1H-indol-3-yl)ethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-(4-chloro-5-methoxy-1H-indol-3-yl)ethanamine Traditional Name: 2-(4-chloro-5-methoxy-1H-indol-3-yl)ethylamine; fumaric acid Formula: C15H17ClN2O5 MolecularWeight: 340.75888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)NC=C2CCN)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C2=C(C=C1)NC=C2CCN)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H13ClN2O.C4H4O4/c1-15-9-3-2-8-10(11(9)12)7(4-5-13)6-14-8;5-3(6)1-2-4(7)8/h2-3,6,14H,4-5,13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+