(E)-but-2-enedioic acid; 8-methoxy-9-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydrocarbazole

Systemtic Name: (E)-but-2-enedioic acid; 8-methoxy-9-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydrocarbazole Openeye Name: fumaric acid; 8-methoxy-9-[2-(1-piperidyl)ethyl]-1,2,3,4-tetrahydrocarbazole CAS Name: (E)-2-butenedioic acid; 8-methoxy-9-[2-(1-piperidinyl)ethyl]-1,2,3,4-tetrahydrocarbazole IUPAC Name: (E)-but-2-enedioic acid; 8-methoxy-9-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydrocarbazole Traditional Name: fumaric acid; 8-methoxy-9-(2-piperidinoethyl)-1,2,3,4-tetrahydrocarbazole Formula: C24H32N2O5 MolecularWeight: 428.52128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1N(C3=C2CCCC3)CCN4CCCCC4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=CC2=C1N(C3=C2CCCC3)CCN4CCCCC4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H28N2O.C4H4O4/c1-23-19-11-7-9-17-16-8-3-4-10-18(16)22(20(17)19)15-14-21-12-5-2-6-13-21;5-3(6)1-2-4(7)8/h7,9,11H,2-6,8,10,12-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+