[cyano-(3-phenoxyphenyl)methyl] (E)-5-chloranyl-3,3-dimethyl-2-propan-2-yl-pent-4-enoate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] (E)-5-chloranyl-3,3-dimethyl-2-propan-2-yl-pent-4-enoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] (E)-5-chloro-2-isopropyl-3,3-dimethyl-pent-4-enoate CAS Name: (E)-5-chloro-3,3-dimethyl-2-propan-2-yl-4-pentenoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] (E)-5-chloro-3,3-dimethyl-2-propan-2-ylpent-4-enoate Traditional Name: (E)-5-chloro-2-isopropyl-3,3-dimethyl-pent-4-enoic acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C24H26ClNO3 MolecularWeight: 411.92114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClNO3/c1-17(2)22(24(3,4)13-14-25)23(27)29-21(16-26)18-9-8-12-20(15-18)28-19-10-6-5-7-11-19/h5-15,17,21-22H,1-4H3/b14-13+