(2S)-4-azanyl-5-chloranyl-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide; (E)-but-2-enedioic acid

Systemtic Name: (2S)-4-azanyl-5-chloranyl-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide; (E)-but-2-enedioic acid Openeye Name: (2S)-4-amino-5-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methyl-2,3-dihydrobenzofuran-7-carboxamide; fumaric acid CAS Name: (2S)-4-amino-5-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methyl-2,3-dihydrobenzofuran-7-carboxamide; (E)-2-butenedioic acid IUPAC Name: (2S)-4-amino-5-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide; (E)-but-2-enedioic acid Traditional Name: (2S)-4-amino-5-chloro-2-methyl-N-(2-pyrrolizidin-8-ylethyl)coumaran-7-carboxamide; fumaric acid Formula: C23H30ClN3O6 MolecularWeight: 479.9538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C(=CC(=C2N)Cl)C(=O)NCCC34CCCN3CCC4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C[C@H]1CC2=C(O1)C(=CC(=C2N)Cl)C(=O)NCCC34CCCN3CCC4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H26ClN3O2.C4H4O4/c1-12-10-13-16(21)15(20)11-14(17(13)25-12)18(24)22-7-6-19-4-2-8-23(19)9-3-5-19;5-3(6)1-2-4(7)8/h11-12H,2-10,21H2,1H3,(H,22,24);1-2H,(H,5,6)(H,7,8)/b;2-1+/t12-;/m0./s1