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

Systemtic Name: 3-chloranyl-N-[(E)-1-cyano-3,3-dimethyl-1-(4-phenylphenyl)but-1-en-2-yl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-3-chloro-N-[(1E)-1-[cyano-(4-phenylphenyl)methylene]-2,2-dimethyl-propyl]benzamide CAS Name: 3-chloro-N-[(E)-1-cyano-3,3-dimethyl-1-(4-phenylphenyl)but-1-en-2-yl]-4-phenylmethoxybenzamide IUPAC Name: 3-chloro-N-[(E)-1-cyano-3,3-dimethyl-1-(4-phenylphenyl)but-1-en-2-yl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[(E)-1-tert-butyl-2-cyano-2-(4-phenylphenyl)vinyl]-3-chloro-benzamide Formula: C33H29ClN2O2 MolecularWeight: 521.04856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=C(C#N)C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)(C)/C(=C(\C#N)/C1=CC=C(C=C1)C2=CC=CC=C2)/NC(=O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)Cl

InChI

InChI=1S/C33H29ClN2O2/c1-33(2,3)31(28(21-35)26-16-14-25(15-17-26)24-12-8-5-9-13-24)36-32(37)27-18-19-30(29(34)20-27)38-22-23-10-6-4-7-11-23/h4-20H,22H2,1-3H3,(H,36,37)/b31-28-