(E)-but-2-enedioic acid; 7-ethyl-8-methoxy-2-methyl-6-oxidanyl-3,3a,4,9b-tetrahydro-1H-benzo[e]isoindol-5-one

Systemtic Name: (E)-but-2-enedioic acid; 7-ethyl-8-methoxy-2-methyl-6-oxidanyl-3,3a,4,9b-tetrahydro-1H-benzo[e]isoindol-5-one Openeye Name: 7-ethyl-6-hydroxy-8-methoxy-2-methyl-3,3a,4,9b-tetrahydro-1H-benzo[e]isoindol-5-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 7-ethyl-6-hydroxy-8-methoxy-2-methyl-3,3a,4,9b-tetrahydro-1H-benzo[e]isoindol-5-one IUPAC Name: (E)-but-2-enedioic acid; 7-ethyl-6-hydroxy-8-methoxy-2-methyl-3,3a,4,9b-tetrahydro-1H-benzo[e]isoindol-5-one Traditional Name: 7-ethyl-6-hydroxy-8-methoxy-2-methyl-3,3a,4,9b-tetrahydro-1H-benz[e]isoindol-5-one; fumaric acid Formula: C20H25NO7 MolecularWeight: 391.415

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C3CN(CC3CC(=O)C2=C1O)C)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC1=C(C=C2C3CN(CC3CC(=O)C2=C1O)C)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H21NO3.C4H4O4/c1-4-10-14(20-3)6-11-12-8-17(2)7-9(12)5-13(18)15(11)16(10)19;5-3(6)1-2-4(7)8/h6,9,12,19H,4-5,7-8H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+