(E)-4-[3-[3-(dimethylamino)-2-methyl-propoxy]phenoxy]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[3-[3-(dimethylamino)-2-methyl-propoxy]phenoxy]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[3-[3-(dimethylamino)-2-methyl-propoxy]phenoxy]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[3-[3-(dimethylamino)-2-methylpropoxy]phenoxy]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[3-[3-(dimethylamino)-2-methylpropoxy]phenoxy]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[3-[3-(dimethylamino)-2-methyl-propoxy]phenoxy]-4-keto-but-2-enoic acid Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)C)COC1=CC=CC(=C1)OC(=O)C=CC(=O)O

Isomeric SMILES

CC(CN(C)C)COC1=CC=CC(=C1)OC(=O)/C=C/C(=O)O

InChI

InChI=1S/C16H21NO5/c1-12(10-17(2)3)11-21-13-5-4-6-14(9-13)22-16(20)8-7-15(18)19/h4-9,12H,10-11H2,1-3H3,(H,18,19)/b8-7+