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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-propenoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=CC(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C/C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H24N2O5/c1-14-9-17(15(2)24(14)18-5-6-18)4-8-22(26)27-12-21(25)23-11-16-3-7-19-20(10-16)29-13-28-19/h3-4,7-10,18H,5-6,11-13H2,1-2H3,(H,23,25)/b8-4+