methyl 2-cyano-3-(3,5-ditert-butylphenyl)-2-[(3,5-ditert-butylphenyl)methyl]propanoate

Systemtic Name: methyl 2-cyano-3-(3,5-ditert-butylphenyl)-2-[(3,5-ditert-butylphenyl)methyl]propanoate Openeye Name: methyl 2-cyano-3-(3,5-ditert-butylphenyl)-2-[(3,5-ditert-butylphenyl)methyl]propanoate CAS Name: 2-cyano-3-(3,5-ditert-butylphenyl)-2-[(3,5-ditert-butylphenyl)methyl]propanoic acid methyl ester IUPAC Name: methyl 2-cyano-3-(3,5-ditert-butylphenyl)-2-[(3,5-ditert-butylphenyl)methyl]propanoate Traditional Name: 2-cyano-2-(3,5-ditert-butylbenzyl)-3-(3,5-ditert-butylphenyl)propionic acid methyl ester Formula: C34H49NO2 MolecularWeight: 503.75836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CC(CC2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)(C#N)C(=O)OC)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CC(CC2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)(C#N)C(=O)OC)C(C)(C)C

InChI

InChI=1S/C34H49NO2/c1-30(2,3)25-14-23(15-26(18-25)31(4,5)6)20-34(22-35,29(36)37-13)21-24-16-27(32(7,8)9)19-28(17-24)33(10,11)12/h14-19H,20-21H2,1-13H3