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

Systemtic Name: (E)-but-2-enedioic acid; N-[(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)methyl]propan-1-amine Openeye Name: fumaric acid; N-[(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)methyl]propan-1-amine CAS Name: (E)-2-butenedioic acid; N-[(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)methyl]-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; N-[(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)methyl]propan-1-amine Traditional Name: fumaric acid; (7-methoxy-1,2,3,4-tetrahydrocyclopent[b]indol-2-yl)methyl-propyl-amine Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1CC2=C(C1)NC3=C2C=C(C=C3)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCNCC1CC2=C(C1)NC3=C2C=C(C=C3)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H22N2O.C4H4O4/c1-3-6-17-10-11-7-13-14-9-12(19-2)4-5-15(14)18-16(13)8-11;5-3(6)1-2-4(7)8/h4-5,9,11,17-18H,3,6-8,10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+