(E)-but-2-enedioic acid; 2-(7-methoxy-4,5-dihydrobenzo[g]indol-1-yl)ethanamine

Systemtic Name: (E)-but-2-enedioic acid; 2-(7-methoxy-4,5-dihydrobenzo[g]indol-1-yl)ethanamine Openeye Name: fumaric acid; 2-(7-methoxy-4,5-dihydrobenzo[g]indol-1-yl)ethanamine CAS Name: (E)-2-butenedioic acid; 2-(7-methoxy-4,5-dihydrobenzo[g]indol-1-yl)ethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-(7-methoxy-4,5-dihydrobenzo[g]indol-1-yl)ethanamine Traditional Name: fumaric acid; 2-(7-methoxy-4,5-dihydrobenz[g]indol-1-yl)ethylamine Formula: C19H22N2O5 MolecularWeight: 358.38838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(CC2)C=CN3CCN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(CC2)C=CN3CCN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H18N2O.C4H4O4/c1-18-13-4-5-14-12(10-13)3-2-11-6-8-17(9-7-16)15(11)14;5-3(6)1-2-4(7)8/h4-6,8,10H,2-3,7,9,16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+