diethyl (3S,4S,5S)-2-azanyl-3-cyano-4,5-bis(4-methylphenyl)cyclopentene-1,3-dicarboxylate

Systemtic Name: diethyl (3S,4S,5S)-2-azanyl-3-cyano-4,5-bis(4-methylphenyl)cyclopentene-1,3-dicarboxylate Openeye Name: diethyl (3S,4S,5S)-2-amino-3-cyano-4,5-bis(p-tolyl)cyclopentene-1,3-dicarboxylate CAS Name: (3S,4S,5S)-2-amino-3-cyano-4,5-bis(4-methylphenyl)cyclopentene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (3S,4S,5S)-2-amino-3-cyano-4,5-bis(4-methylphenyl)cyclopentene-1,3-dicarboxylate Traditional Name: (3S,4S,5S)-2-amino-3-cyano-4,5-bis(p-tolyl)cyclopentene-1,3-dicarboxylic acid diethyl ester Formula: C26H28N2O4 MolecularWeight: 432.51152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(C(C1C2=CC=C(C=C2)C)C3=CC=C(C=C3)C)(C#N)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C([C@@]([C@@H]([C@H]1C2=CC=C(C=C2)C)C3=CC=C(C=C3)C)(C#N)C(=O)OCC)N

InChI

InChI=1S/C26H28N2O4/c1-5-31-24(29)21-20(18-11-7-16(3)8-12-18)22(19-13-9-17(4)10-14-19)26(15-27,23(21)28)25(30)32-6-2/h7-14,20,22H,5-6,28H2,1-4H3/t20-,22+,26-/m0/s1