(E)-but-2-enedioic acid; N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-chromene-8-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-chromene-8-carboxamide Openeye Name: N-[(1-ethylpyrrolidin-2-yl)methyl]chromane-8-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-[(1-ethyl-2-pyrrolidinyl)methyl]-3,4-dihydro-2H-1-benzopyran-8-carboxamide IUPAC Name: (E)-but-2-enedioic acid; N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-chromene-8-carboxamide Traditional Name: N-[(1-ethylpyrrolidin-2-yl)methyl]chroman-8-carboxamide; fumaric acid Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2=C3C(=CC=C2)CCCO3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN1CCCC1CNC(=O)C2=C3C(=CC=C2)CCCO3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H24N2O2.C4H4O4/c1-2-19-10-4-8-14(19)12-18-17(20)15-9-3-6-13-7-5-11-21-16(13)15;5-3(6)1-2-4(7)8/h3,6,9,14H,2,4-5,7-8,10-12H2,1H3,(H,18,20);1-2H,(H,5,6)(H,7,8)/b;2-1+