(E)-3-(1,3-benzodioxol-5-yl)-2-[[4-(2-methylpropoxy)phenyl]carbonylamino]prop-2-enoate

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-2-[[4-(2-methylpropoxy)phenyl]carbonylamino]prop-2-enoate Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-2-[(4-isobutoxybenzoyl)amino]prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-[[[4-(2-methylpropoxy)phenyl]-oxomethyl]amino]-2-propenoate IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-2-[[4-(2-methylpropoxy)benzoyl]amino]prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-2-[(4-isobutoxybenzoyl)amino]acrylate Formula: C21H20NO6- MolecularWeight: 382.3866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NC(=CC2=CC3=C(C=C2)OCO3)C(=O)[O-]

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC3=C(C=C2)OCO3)/C(=O)[O-]

InChI

InChI=1S/C21H21NO6/c1-13(2)11-26-16-6-4-15(5-7-16)20(23)22-17(21(24)25)9-14-3-8-18-19(10-14)28-12-27-18/h3-10,13H,11-12H2,1-2H3,(H,22,23)(H,24,25)/p-1/b17-9+