1-[(9a-propan-2-yl-1,7,8,9-tetrahydrophenalen-2-yl)methyl]imidazole; (E)-but-2-enedioic acid

Systemtic Name: 1-[(9a-propan-2-yl-1,7,8,9-tetrahydrophenalen-2-yl)methyl]imidazole; (E)-but-2-enedioic acid Openeye Name: 1-[(9a-isopropyl-1,7,8,9-tetrahydrophenalen-2-yl)methyl]imidazole; fumaric acid CAS Name: 1-[(9a-propan-2-yl-1,7,8,9-tetrahydrophenalen-2-yl)methyl]imidazole; (E)-2-butenedioic acid IUPAC Name: 1-[(9a-propan-2-yl-1,7,8,9-tetrahydrophenalen-2-yl)methyl]imidazole; (E)-but-2-enedioic acid Traditional Name: 1-[(9a-isopropyl-1,7,8,9-tetrahydrophenalen-2-yl)methyl]imidazole; fumaric acid Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C12CCCC3=CC=CC(=C31)C=C(C2)CN4C=CN=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)C12CCCC3=CC=CC(=C31)C=C(C2)CN4C=CN=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H24N2.C4H4O4/c1-15(2)20-8-4-7-17-5-3-6-18(19(17)20)11-16(12-20)13-22-10-9-21-14-22;5-3(6)1-2-4(7)8/h3,5-6,9-11,14-15H,4,7-8,12-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+