(E)-3-[3-[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]oxyphenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]oxyphenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[2-(tert-butylamino)-1-methyl-2-oxo-ethoxy]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[1-(tert-butylamino)-1-oxopropan-2-yl]oxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[1-(tert-butylamino)-1-oxopropan-2-yl]oxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[2-(tert-butylamino)-2-keto-1-methyl-ethoxy]phenyl]acrylic acid Formula: C16H21NO4 MolecularWeight: 291.34224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC1=CC=CC(=C1)C=CC(=O)O

Isomeric SMILES

CC(C(=O)NC(C)(C)C)OC1=CC=CC(=C1)/C=C/C(=O)O

InChI

InChI=1S/C16H21NO4/c1-11(15(20)17-16(2,3)4)21-13-7-5-6-12(10-13)8-9-14(18)19/h5-11H,1-4H3,(H,17,20)(H,18,19)/b9-8+