(E)-3-[2-[2-(butan-2-ylamino)-2-oxidanylidene-ethoxy]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-[2-(butan-2-ylamino)-2-oxidanylidene-ethoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-[2-oxo-2-(sec-butylamino)ethoxy]phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-[2-(butan-2-ylamino)-2-oxoethoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-[2-(butan-2-ylamino)-2-oxoethoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-[2-keto-2-(sec-butylamino)ethoxy]phenyl]acrylic acid Formula: C15H19NO4 MolecularWeight: 277.31566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC1=CC=CC=C1C=CC(=O)O

Isomeric SMILES

CCC(C)NC(=O)COC1=CC=CC=C1/C=C/C(=O)O

InChI

InChI=1S/C15H19NO4/c1-3-11(2)16-14(17)10-20-13-7-5-4-6-12(13)8-9-15(18)19/h4-9,11H,3,10H2,1-2H3,(H,16,17)(H,18,19)/b9-8+