[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-propenoic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)acrylic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C23H24ClNO7 MolecularWeight: 461.89216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)Cl)OC

InChI

InChI=1S/C23H24ClNO7/c1-4-29-20-10-15(9-17(24)22(20)28-3)6-8-21(26)32-14(2)23(27)25-12-16-5-7-18-19(11-16)31-13-30-18/h5-11,14H,4,12-13H2,1-3H3,(H,25,27)/b8-6+