ethyl (2S,3aS)-3-cyano-1-(4-methylphenyl)-2-phenyl-2,3a-dihydrocyclohepta[b]pyrrole-3-carboxylate

Systemtic Name: ethyl (2S,3aS)-3-cyano-1-(4-methylphenyl)-2-phenyl-2,3a-dihydrocyclohepta[b]pyrrole-3-carboxylate Openeye Name: ethyl (2S,3aS)-3-cyano-2-phenyl-1-(p-tolyl)-2,3a-dihydrocyclohepta[b]pyrrole-3-carboxylate CAS Name: (2S,3aS)-3-cyano-1-(4-methylphenyl)-2-phenyl-2,3a-dihydrocyclohepta[b]pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,3aS)-3-cyano-1-(4-methylphenyl)-2-phenyl-2,3a-dihydrocyclohepta[b]pyrrole-3-carboxylate Traditional Name: (2S,3aS)-3-cyano-2-phenyl-1-(p-tolyl)-2,3a-dihydrocyclohepta[b]pyrrole-3-carboxylic acid ethyl ester Formula: C26H24N2O2 MolecularWeight: 396.48096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2C=CC=CC=C2N(C1C3=CC=CC=C3)C4=CC=C(C=C4)C)C#N

Isomeric SMILES

CCOC(=O)C1([C@@H]2C=CC=CC=C2N([C@H]1C3=CC=CC=C3)C4=CC=C(C=C4)C)C#N

InChI

InChI=1S/C26H24N2O2/c1-3-30-25(29)26(18-27)22-12-8-5-9-13-23(22)28(21-16-14-19(2)15-17-21)24(26)20-10-6-4-7-11-20/h4-17,22,24H,3H2,1-2H3/t22-,24+,26?/m1/s1