dimethyl (3S,4S,5S)-2-azanyl-4,5-bis(4-chlorophenyl)-3-cyano-cyclopentene-1,3-dicarboxylate

Systemtic Name: dimethyl (3S,4S,5S)-2-azanyl-4,5-bis(4-chlorophenyl)-3-cyano-cyclopentene-1,3-dicarboxylate Openeye Name: dimethyl (3S,4S,5S)-2-amino-4,5-bis(4-chlorophenyl)-3-cyano-cyclopentene-1,3-dicarboxylate CAS Name: (3S,4S,5S)-2-amino-4,5-bis(4-chlorophenyl)-3-cyanocyclopentene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3S,4S,5S)-2-amino-4,5-bis(4-chlorophenyl)-3-cyanocyclopentene-1,3-dicarboxylate Traditional Name: (3S,4S,5S)-2-amino-4,5-bis(4-chlorophenyl)-3-cyano-cyclopentene-1,3-dicarboxylic acid dimethyl ester Formula: C22H18Cl2N2O4 MolecularWeight: 445.29532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(C(C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)(C#N)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C([C@@]([C@@H]([C@H]1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)(C#N)C(=O)OC)N

InChI

InChI=1S/C22H18Cl2N2O4/c1-29-20(27)17-16(12-3-7-14(23)8-4-12)18(13-5-9-15(24)10-6-13)22(11-25,19(17)26)21(28)30-2/h3-10,16,18H,26H2,1-2H3/t16-,18+,22-/m0/s1