2-[methanoyl-(phenylmethyl)amino]ethyl (2E)-2-(1,3-benzodioxol-4-ylmethylidene)-3-oxidanylidene-butanoate

Systemtic Name: 2-[methanoyl-(phenylmethyl)amino]ethyl (2E)-2-(1,3-benzodioxol-4-ylmethylidene)-3-oxidanylidene-butanoate Openeye Name: 2-[benzyl(formyl)amino]ethyl (2E)-2-(1,3-benzodioxol-4-ylmethylene)-3-oxo-butanoate CAS Name: (2E)-2-(1,3-benzodioxol-4-ylmethylidene)-3-oxobutanoic acid 2-[formyl-(phenylmethyl)amino]ethyl ester IUPAC Name: 2-[benzyl(formyl)amino]ethyl (2E)-2-(1,3-benzodioxol-4-ylmethylidene)-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(1,3-benzodioxol-4-yl)acrylic acid 2-[benzyl(formyl)amino]ethyl ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=C2C(=CC=C1)OCO2)C(=O)OCCN(CC3=CC=CC=C3)C=O

Isomeric SMILES

CC(=O)/C(=C\C1=C2C(=CC=C1)OCO2)/C(=O)OCCN(CC3=CC=CC=C3)C=O

InChI

InChI=1S/C22H21NO6/c1-16(25)19(12-18-8-5-9-20-21(18)29-15-28-20)22(26)27-11-10-23(14-24)13-17-6-3-2-4-7-17/h2-9,12,14H,10-11,13,15H2,1H3/b19-12+