8-(3-bromophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline; (E)-but-2-enedioic acid

Systemtic Name: 8-(3-bromophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline; (E)-but-2-enedioic acid Openeye Name: 8-(3-bromophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline; fumaric acid CAS Name: 8-(3-bromophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline; (E)-2-butenedioic acid IUPAC Name: 8-(3-bromophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline; (E)-but-2-enedioic acid Traditional Name: 8-(3-bromophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline; fumaric acid Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC=CC(=C2C1)C3=CC(=CC=C3)Br.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC2=CC=CC(=C2C1)C3=CC(=CC=C3)Br.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H16BrN.C4H4O4/c1-18-9-8-12-4-3-7-15(16(12)11-18)13-5-2-6-14(17)10-13;5-3(6)1-2-4(7)8/h2-7,10H,8-9,11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+