(E)-but-2-enedioate; 2-(tert-butylamino)-1-phenyl-ethanol

Systemtic Name: (E)-but-2-enedioate; 2-(tert-butylamino)-1-phenyl-ethanol Openeye Name: (E)-but-2-enedioate; 2-(tert-butylamino)-1-phenyl-ethanol CAS Name: (E)-2-butenedioate; 2-(tert-butylamino)-1-phenylethanol IUPAC Name: (E)-but-2-enedioate; 2-(tert-butylamino)-1-phenylethanol Traditional Name: 2-(tert-butylamino)-1-phenyl-ethanol fumarate Formula: C28H40N2O6-2 MolecularWeight: 500.627

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(C1=CC=CC=C1)O.CC(C)(C)NCC(C1=CC=CC=C1)O.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)(C)NCC(C1=CC=CC=C1)O.CC(C)(C)NCC(C1=CC=CC=C1)O.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/2C12H19NO.C4H4O4/c2*1-12(2,3)13-9-11(14)10-7-5-4-6-8-10;5-3(6)1-2-4(7)8/h2*4-8,11,13-14H,9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/p-2/b;;2-1+