(E)-but-2-enedioic acid; 2-dimethylaminoethyl 2-cyclopentylhexanoate

Systemtic Name: (E)-but-2-enedioic acid; 2-dimethylaminoethyl 2-cyclopentylhexanoate Openeye Name: 2-dimethylaminoethyl 2-cyclopentylhexanoate; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-cyclopentylhexanoic acid 2-dimethylaminoethyl ester IUPAC Name: (E)-but-2-enedioic acid; 2-dimethylaminoethyl 2-cyclopentylhexanoate Traditional Name: 2-cyclopentylhexanoic acid 2-dimethylaminoethyl ester; fumaric acid Formula: C19H33NO6 MolecularWeight: 371.46842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1CCCC1)C(=O)OCCN(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCC(C1CCCC1)C(=O)OCCN(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H29NO2.C4H4O4/c1-4-5-10-14(13-8-6-7-9-13)15(17)18-12-11-16(2)3;5-3(6)1-2-4(7)8/h13-14H,4-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+