[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-ethoxyphenyl)prop-2-enoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-ethoxyphenyl)-2-propenoic acid [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] (E)-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-p-phenetylacrylic acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H21NO6 MolecularWeight: 383.39454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)O[C@H](C)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H21NO6/c1-3-25-17-8-4-15(5-9-17)6-11-20(23)28-14(2)21(24)22-16-7-10-18-19(12-16)27-13-26-18/h4-12,14H,3,13H2,1-2H3,(H,22,24)/b11-6+/t14-/m1/s1