(E)-but-2-enedioic acid; 1-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-N-methyl-methanamine

Systemtic Name: (E)-but-2-enedioic acid; 1-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-N-methyl-methanamine Openeye Name: fumaric acid; 1-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-N-methyl-methanamine CAS Name: (E)-2-butenedioic acid; 1-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-N-methylmethanamine IUPAC Name: (E)-but-2-enedioic acid; 1-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-N-methylmethanamine Traditional Name: fumaric acid; (7-methoxy-1,2,3,4-tetrahydrocyclopent[b]indol-2-yl)methyl-methyl-amine Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1CC2=C(C1)NC3=C2C=C(C=C3)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNCC1CC2=C(C1)NC3=C2C=C(C=C3)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H18N2O.C4H4O4/c1-15-8-9-5-11-12-7-10(17-2)3-4-13(12)16-14(11)6-9;5-3(6)1-2-4(7)8/h3-4,7,9,15-16H,5-6,8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+