[2-[(Z)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]oxy-2-phenyl-butyl] 2,2-dimethylbutanoate

Systemtic Name: [2-[(Z)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]oxy-2-phenyl-butyl] 2,2-dimethylbutanoate Openeye Name: [2-[(Z)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]oxy-2-phenyl-butyl] 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic acid [2-[(Z)-3-(1,3-benzodioxol-5-yl)-2-cyano-1-oxoprop-2-enoxy]-2-phenylbutyl] ester IUPAC Name: [2-[(Z)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoyl]oxy-2-phenylbutyl] 2,2-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid [2-[(Z)-3-(1,3-benzodioxol-5-yl)-2-cyano-acryloyl]oxy-2-phenyl-butyl] ester Formula: C27H29NO6 MolecularWeight: 463.52226

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OCC(CC)(C1=CC=CC=C1)OC(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

CCC(C)(C)C(=O)OCC(CC)(C1=CC=CC=C1)OC(=O)/C(=C\C2=CC3=C(C=C2)OCO3)/C#N

InChI

InChI=1S/C27H29NO6/c1-5-26(3,4)25(30)31-17-27(6-2,21-10-8-7-9-11-21)34-24(29)20(16-28)14-19-12-13-22-23(15-19)33-18-32-22/h7-15H,5-6,17-18H2,1-4H3/b20-14-