[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 3-(3-ethoxy-4-isobutoxy-phenyl)prop-2-enoate CAS Name: 3-[3-ethoxy-4-(2-methylpropoxy)phenyl]-2-propenoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate Traditional Name: 3-(3-ethoxy-4-isobutoxy-phenyl)acrylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C24H27NO7 MolecularWeight: 441.47368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO7/c1-4-28-21-11-17(5-8-19(21)29-13-16(2)3)6-10-24(27)30-14-23(26)25-18-7-9-20-22(12-18)32-15-31-20/h5-12,16H,4,13-15H2,1-3H3,(H,25,26)