[cyano-(3-phenylazanylphenyl)methyl] 2,2-dimethyl-3-(4-methylphenoxy)cyclopropane-1-carboxylate

Systemtic Name: [cyano-(3-phenylazanylphenyl)methyl] 2,2-dimethyl-3-(4-methylphenoxy)cyclopropane-1-carboxylate Openeye Name: [(3-anilinophenyl)-cyano-methyl] 2,2-dimethyl-3-(4-methylphenoxy)cyclopropanecarboxylate CAS Name: 2,2-dimethyl-3-(4-methylphenoxy)-1-cyclopropanecarboxylic acid [(3-anilinophenyl)-cyanomethyl] ester IUPAC Name: [(3-anilinophenyl)-cyanomethyl] 2,2-dimethyl-3-(4-methylphenoxy)cyclopropane-1-carboxylate Traditional Name: 2,2-dimethyl-3-(4-methylphenoxy)cyclopropanecarboxylic acid [(3-anilinophenyl)-cyano-methyl] ester Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2C(C2(C)C)C(=O)OC(C#N)C3=CC(=CC=C3)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)OC2C(C2(C)C)C(=O)OC(C#N)C3=CC(=CC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O3/c1-18-12-14-22(15-13-18)31-25-24(27(25,2)3)26(30)32-23(17-28)19-8-7-11-21(16-19)29-20-9-5-4-6-10-20/h4-16,23-25,29H,1-3H3