3-chloranyl-N-[(E)-1-cyano-1-(2,4-dimethylphenyl)-3,3-dimethyl-but-1-en-2-yl]-4-phenylmethoxy-benzamide

Systemtic Name: 3-chloranyl-N-[(E)-1-cyano-1-(2,4-dimethylphenyl)-3,3-dimethyl-but-1-en-2-yl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-3-chloro-N-[(1E)-1-[cyano-(2,4-dimethylphenyl)methylene]-2,2-dimethyl-propyl]benzamide CAS Name: 3-chloro-N-[(E)-1-cyano-1-(2,4-dimethylphenyl)-3,3-dimethylbut-1-en-2-yl]-4-phenylmethoxybenzamide IUPAC Name: 3-chloro-N-[(E)-1-cyano-1-(2,4-dimethylphenyl)-3,3-dimethylbut-1-en-2-yl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[(E)-1-tert-butyl-2-cyano-2-(2,4-dimethylphenyl)vinyl]-3-chloro-benzamide Formula: C29H29ClN2O2 MolecularWeight: 473.00576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=C(C(C)(C)C)NC(=O)C2=CC(=C(C=C2)OCC3=CC=CC=C3)Cl)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)/C(=C(/C(C)(C)C)\NC(=O)C2=CC(=C(C=C2)OCC3=CC=CC=C3)Cl)/C#N)C

InChI

InChI=1S/C29H29ClN2O2/c1-19-11-13-23(20(2)15-19)24(17-31)27(29(3,4)5)32-28(33)22-12-14-26(25(30)16-22)34-18-21-9-7-6-8-10-21/h6-16H,18H2,1-5H3,(H,32,33)/b27-24-