(E)-but-2-enedioate; 1-(4-butylphenyl)-N-methyl-propan-2-amine

Systemtic Name: (E)-but-2-enedioate; 1-(4-butylphenyl)-N-methyl-propan-2-amine Openeye Name: (E)-but-2-enedioate; 1-(4-butylphenyl)-N-methyl-propan-2-amine CAS Name: (E)-2-butenedioate; 1-(4-butylphenyl)-N-methyl-2-propanamine IUPAC Name: (E)-but-2-enedioate; 1-(4-butylphenyl)-N-methylpropan-2-amine Traditional Name: [2-(4-butylphenyl)-1-methyl-ethyl]-methyl-amine fumarate Formula: C18H25NO4-2 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CC(C)NC.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)CC(C)NC.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C14H23N.C4H4O4/c1-4-5-6-13-7-9-14(10-8-13)11-12(2)15-3;5-3(6)1-2-4(7)8/h7-10,12,15H,4-6,11H2,1-3H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+