methyl (2S,3S)-3-cyano-5-methyl-1,2,4-triphenyl-2H-pyrrole-3-carboxylate

Systemtic Name: methyl (2S,3S)-3-cyano-5-methyl-1,2,4-triphenyl-2H-pyrrole-3-carboxylate Openeye Name: methyl (2S,3S)-3-cyano-5-methyl-1,2,4-triphenyl-2H-pyrrole-3-carboxylate CAS Name: (2S,3S)-3-cyano-5-methyl-1,2,4-triphenyl-2H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl (2S,3S)-3-cyano-5-methyl-1,2,4-triphenyl-2H-pyrrole-3-carboxylate Traditional Name: (2S,3S)-3-cyano-5-methyl-1,2,4-triphenyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C26H22N2O2 MolecularWeight: 394.46508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(N1C2=CC=CC=C2)C3=CC=CC=C3)(C#N)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C([C@]([C@@H](N1C2=CC=CC=C2)C3=CC=CC=C3)(C#N)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H22N2O2/c1-19-23(20-12-6-3-7-13-20)26(18-27,25(29)30-2)24(21-14-8-4-9-15-21)28(19)22-16-10-5-11-17-22/h3-17,24H,1-2H3/t24-,26-/m0/s1