(E)-but-2-enedioate; N-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

Systemtic Name: (E)-but-2-enedioate; N-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Openeye Name: (E)-but-2-enedioate; N-isopropyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine CAS Name: (E)-2-butenedioate; N-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine IUPAC Name: (E)-but-2-enedioate; N-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Traditional Name: isopropyl(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amine fumarate Formula: C17H21NO5-2 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1CCCOC2=CC=CC=C12.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)NC1CCCOC2=CC=CC=C12.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C13H19NO.C4H4O4/c1-10(2)14-12-7-5-9-15-13-8-4-3-6-11(12)13;5-3(6)1-2-4(7)8/h3-4,6,8,10,12,14H,5,7,9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+