methyl (3aS,9S,9aR)-9-cyano-3-(diphenylmethylidene)-6,9a-dihydro-3aH-cyclopenta[a]azulene-9-carboxylate

Systemtic Name: methyl (3aS,9S,9aR)-9-cyano-3-(diphenylmethylidene)-6,9a-dihydro-3aH-cyclopenta[a]azulene-9-carboxylate Openeye Name: methyl (3aS,9S,9aR)-3-benzhydrylidene-9-cyano-6,9a-dihydro-3aH-cyclopenta[a]azulene-9-carboxylate CAS Name: (3aS,9S,9aR)-9-cyano-3-(diphenylmethylene)-6,9a-dihydro-3aH-cyclopenta[a]azulene-9-carboxylic acid methyl ester IUPAC Name: methyl (3aS,9S,9aR)-3-benzhydrylidene-9-cyano-6,9a-dihydro-3aH-cyclopenta[a]azulene-9-carboxylate Traditional Name: (3aS,9S,9aR)-3-benzhydrylidene-9-cyano-6,9a-dihydro-3aH-cyclopent[a]azulene-9-carboxylic acid methyl ester Formula: C29H23NO2 MolecularWeight: 417.49842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C2C=CC(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2C5=C1C=CCC=C5)C#N

Isomeric SMILES

COC(=O)[C@]1([C@@H]2C=CC(=C(C3=CC=CC=C3)C4=CC=CC=C4)[C@@H]2C5=C1C=CCC=C5)C#N

InChI

InChI=1S/C29H23NO2/c1-32-28(31)29(19-30)24-16-10-4-9-15-22(24)27-23(17-18-25(27)29)26(20-11-5-2-6-12-20)21-13-7-3-8-14-21/h2-3,5-18,25,27H,4H2,1H3/t25-,27+,29-/m1/s1