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

Systemtic Name: (E)-but-2-enedioic acid; 8-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline Openeye Name: 8-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline; fumaric acid CAS Name: (E)-2-butenedioic acid; 8-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline IUPAC Name: (E)-but-2-enedioic acid; 8-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline Traditional Name: 8-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline; fumaric acid Formula: C20H20ClNO4 MolecularWeight: 373.8301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN.C4H4O4/c1-18-10-9-12-3-2-4-15(16(12)11-18)13-5-7-14(17)8-6-13;5-3(6)1-2-4(7)8/h2-8H,9-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+