(E)-but-2-enedioic acid; 2-(diphenylmethyl)oxyethanamine

Systemtic Name: (E)-but-2-enedioic acid; 2-(diphenylmethyl)oxyethanamine Openeye Name: 2-benzhydryloxyethanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(diphenylmethyl)oxyethanamine IUPAC Name: 2-benzhydryloxyethanamine; (E)-but-2-enedioic acid Traditional Name: 2-benzhydryloxyethylamine; fumaric acid Formula: C19H21NO5 MolecularWeight: 343.37374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)OCCN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OCCN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H17NO.C4H4O4/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;5-3(6)1-2-4(7)8/h1-10,15H,11-12,16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+