2-[(4-fluorophenyl)methyl-methyl-amino]ethyl (2E)-2-(3H-1,2-benzodioxol-7-ylmethylidene)-3-oxidanylidene-butanoate

Systemtic Name: 2-[(4-fluorophenyl)methyl-methyl-amino]ethyl (2E)-2-(3H-1,2-benzodioxol-7-ylmethylidene)-3-oxidanylidene-butanoate Openeye Name: 2-[(4-fluorophenyl)methyl-methyl-amino]ethyl (2E)-2-(3H-1,2-benzodioxol-7-ylmethylene)-3-oxo-butanoate CAS Name: (2E)-2-(3H-1,2-benzodioxol-7-ylmethylidene)-3-oxobutanoic acid 2-[(4-fluorophenyl)methyl-methylamino]ethyl ester IUPAC Name: 2-[(4-fluorophenyl)methyl-methylamino]ethyl (2E)-2-(3H-1,2-benzodioxol-7-ylmethylidene)-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3H-1,2-benzodioxol-7-yl)acrylic acid 2-[(4-fluorobenzyl)-methyl-amino]ethyl ester Formula: C22H22FNO5 MolecularWeight: 399.412183

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=C2C(=CC=C1)COO2)C(=O)OCCN(C)CC3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)/C(=C\C1=C2C(=CC=C1)COO2)/C(=O)OCCN(C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FNO5/c1-15(25)20(12-17-4-3-5-18-14-28-29-21(17)18)22(26)27-11-10-24(2)13-16-6-8-19(23)9-7-16/h3-9,12H,10-11,13-14H2,1-2H3/b20-12+