2-chloranylethanamine; (E)-3-(5-ethyl-2,4-dimethyl-phenyl)prop-2-enoic acid

Systemtic Name: 2-chloranylethanamine; (E)-3-(5-ethyl-2,4-dimethyl-phenyl)prop-2-enoic acid Openeye Name: 2-chloroethanamine; (E)-3-(5-ethyl-2,4-dimethyl-phenyl)prop-2-enoic acid CAS Name: 2-chloroethanamine; (E)-3-(5-ethyl-2,4-dimethylphenyl)-2-propenoic acid IUPAC Name: 2-chloroethanamine; (E)-3-(5-ethyl-2,4-dimethylphenyl)prop-2-enoic acid Traditional Name: 2-chloroethylamine; (E)-3-(5-ethyl-2,4-dimethyl-phenyl)acrylic acid Formula: C15H22ClNO2 MolecularWeight: 283.79368

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C=CC(=O)O)C)C.C(CCl)N

Isomeric SMILES

CCC1=C(C=C(C(=C1)/C=C/C(=O)O)C)C.C(CCl)N

InChI

InChI=1S/C13H16O2.C2H6ClN/c1-4-11-8-12(5-6-13(14)15)10(3)7-9(11)2;3-1-2-4/h5-8H,4H2,1-3H3,(H,14,15);1-2,4H2/b6-5+;