[cyano-(3-phenoxyphenyl)methyl] 2-(1,3-benzodioxol-5-yl)-3-methyl-butanoate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 2-(1,3-benzodioxol-5-yl)-3-methyl-butanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 2-(1,3-benzodioxol-5-yl)-3-methyl-butanoate CAS Name: 2-(1,3-benzodioxol-5-yl)-3-methylbutanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 2-(1,3-benzodioxol-5-yl)-3-methylbutanoate Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-methyl-butyric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C26H23NO5 MolecularWeight: 429.46452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCO2)C(=O)OC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C1=CC2=C(C=C1)OCO2)C(=O)OC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H23NO5/c1-17(2)25(19-11-12-22-23(14-19)30-16-29-22)26(28)32-24(15-27)18-7-6-10-21(13-18)31-20-8-4-3-5-9-20/h3-14,17,24-25H,16H2,1-2H3