(E)-but-2-enedioate; 7-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

Systemtic Name: (E)-but-2-enedioate; 7-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Openeye Name: (E)-but-2-enedioate; N-isopropyl-7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine CAS Name: (E)-2-butenedioate; 7-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine IUPAC Name: (E)-but-2-enedioate; 7-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Traditional Name: isopropyl-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amine fumarate Formula: C18H23NO5-2 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCCCC2NC(C)C.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)OCCCC2NC(C)C.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C14H21NO.C4H4O4/c1-10(2)15-13-5-4-8-16-14-7-6-11(3)9-12(13)14;5-3(6)1-2-4(7)8/h6-7,9-10,13,15H,4-5,8H2,1-3H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+