(E)-but-2-enedioic acid; [1-(3-propan-2-ylphenyl)pyrrolidin-2-yl]methanamine

Systemtic Name: (E)-but-2-enedioic acid; [1-(3-propan-2-ylphenyl)pyrrolidin-2-yl]methanamine Openeye Name: fumaric acid; [1-(3-isopropylphenyl)pyrrolidin-2-yl]methanamine CAS Name: (E)-2-butenedioic acid; [1-(3-propan-2-ylphenyl)-2-pyrrolidinyl]methanamine IUPAC Name: (E)-but-2-enedioic acid; [1-(3-propan-2-ylphenyl)pyrrolidin-2-yl]methanamine Traditional Name: fumaric acid; (1-m-cumenylpyrrolidin-2-yl)methylamine Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)N2CCCC2CN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)C1=CC(=CC=C1)N2CCCC2CN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H22N2.C4H4O4/c1-11(2)12-5-3-6-13(9-12)16-8-4-7-14(16)10-15;5-3(6)1-2-4(7)8/h3,5-6,9,11,14H,4,7-8,10,15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+