[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3-methoxyphenyl)-2-phenyl-prop-2-enoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3-methoxyphenyl)-2-phenyl-prop-2-enoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] (E)-3-(3-methoxyphenyl)-2-phenyl-prop-2-enoate CAS Name: (E)-3-(3-methoxyphenyl)-2-phenyl-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-methoxyphenyl)-2-phenylprop-2-enoate Traditional Name: (E)-3-(3-methoxyphenyl)-2-phenyl-acrylic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C27H25NO6 MolecularWeight: 459.4905

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C(=CC3=CC(=CC=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)/C(=C/C3=CC(=CC=C3)OC)/C4=CC=CC=C4

InChI

InChI=1S/C27H25NO6/c1-18(26(29)28-16-20-11-12-24-25(15-20)33-17-32-24)34-27(30)23(21-8-4-3-5-9-21)14-19-7-6-10-22(13-19)31-2/h3-15,18H,16-17H2,1-2H3,(H,28,29)/b23-14+