[cyano-(3-phenoxyphenyl)methyl] 3,3-dimethylpent-4-enoate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 3,3-dimethylpent-4-enoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 3,3-dimethylpent-4-enoate CAS Name: 3,3-dimethyl-4-pentenoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 3,3-dimethylpent-4-enoate Traditional Name: 3,3-dimethylpent-4-enoic acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)C=C

Isomeric SMILES

CC(C)(CC(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)C=C

InChI

InChI=1S/C21H21NO3/c1-4-21(2,3)14-20(23)25-19(15-22)16-9-8-12-18(13-16)24-17-10-6-5-7-11-17/h4-13,19H,1,14H2,2-3H3