(E)-3-[4-[1-(butan-2-ylamino)-1-oxidanylidene-propan-2-yl]oxyphenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[1-(butan-2-ylamino)-1-oxidanylidene-propan-2-yl]oxyphenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[1-methyl-2-oxo-2-(sec-butylamino)ethoxy]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[2-keto-1-methyl-2-(sec-butylamino)ethoxy]phenyl]acrylic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4/c1-4-11(2)17-16(20)12(3)21-14-8-5-13(6-9-14)7-10-15(18)19/h5-12H,4H2,1-3H3,(H,17,20)(H,18,19)/b10-7+