[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate CAS Name: 2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate Traditional Name: 2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C23H25N3O5/c1-4-7-26-15(2)8-18(16(26)3)10-19(11-24)23(28)29-13-22(27)25-12-17-5-6-20-21(9-17)31-14-30-20/h5-6,8-10H,4,7,12-14H2,1-3H3,(H,25,27)