N-methylethanamine; (E)-4-methyl-3-propoxycarbonyl-pent-2-enoate

Systemtic Name: N-methylethanamine; (E)-4-methyl-3-propoxycarbonyl-pent-2-enoate Openeye Name: N-methylethanamine; (E)-4-methyl-3-propoxycarbonyl-pent-2-enoate CAS Name: N-methylethanamine; (E)-4-methyl-3-[oxo(propoxy)methyl]-2-pentenoate IUPAC Name: N-methylethanamine; (E)-4-methyl-3-propoxycarbonylpent-2-enoate Traditional Name: ethyl(methyl)amine; (E)-4-methyl-3-propoxycarbonyl-pent-2-enoate Formula: C13H24NO4- MolecularWeight: 258.33396

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(=CC(=O)[O-])C(C)C.CCNC

Isomeric SMILES

CCCOC(=O)/C(=C/C(=O)[O-])/C(C)C.CCNC

InChI

InChI=1S/C10H16O4.C3H9N/c1-4-5-14-10(13)8(7(2)3)6-9(11)12;1-3-4-2/h6-7H,4-5H2,1-3H3,(H,11,12);4H,3H2,1-2H3/p-1/b8-6+;