(E)-3-[4-(3-azanyl-3-oxidanylidene-propoxy)-3,5-dimethyl-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(3-azanyl-3-oxidanylidene-propoxy)-3,5-dimethyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(3-amino-3-oxo-propoxy)-3,5-dimethyl-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(3-amino-3-oxopropoxy)-3,5-dimethylphenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(3-amino-3-oxopropoxy)-3,5-dimethylphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(3-amino-3-keto-propoxy)-3,5-dimethyl-phenyl]acrylic acid Formula: C14H17NO4 MolecularWeight: 263.28908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCC(=O)N)C)C=CC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OCCC(=O)N)C)/C=C/C(=O)O

InChI

InChI=1S/C14H17NO4/c1-9-7-11(3-4-13(17)18)8-10(2)14(9)19-6-5-12(15)16/h3-4,7-8H,5-6H2,1-2H3,(H2,15,16)(H,17,18)/b4-3+