ethyl (3R,5R)-1-cyano-4-phenyl-3,5-bis(phenylcarbonyl)cyclohexane-1-carboxylate

Systemtic Name: ethyl (3R,5R)-1-cyano-4-phenyl-3,5-bis(phenylcarbonyl)cyclohexane-1-carboxylate Openeye Name: ethyl (3R,5R)-3,5-dibenzoyl-1-cyano-4-phenyl-cyclohexanecarboxylate CAS Name: (3R,5R)-3,5-dibenzoyl-1-cyano-4-phenyl-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,5R)-3,5-dibenzoyl-1-cyano-4-phenylcyclohexane-1-carboxylate Traditional Name: (3R,5R)-3,5-dibenzoyl-1-cyano-4-phenyl-cyclohexanecarboxylic acid ethyl ester Formula: C30H27NO4 MolecularWeight: 465.53968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(C(C(C1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)C1(C[C@H](C([C@@H](C1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C30H27NO4/c1-2-35-29(34)30(20-31)18-24(27(32)22-14-8-4-9-15-22)26(21-12-6-3-7-13-21)25(19-30)28(33)23-16-10-5-11-17-23/h3-17,24-26H,2,18-19H2,1H3/t24-,25-,26?,30?/m1/s1