methyl 9-[(2-cyanophenyl)methyl]-5-oxidanyl-7-pentyl-carbazole-4-carboxylate

Systemtic Name: methyl 9-[(2-cyanophenyl)methyl]-5-oxidanyl-7-pentyl-carbazole-4-carboxylate Openeye Name: methyl 9-[(2-cyanophenyl)methyl]-5-hydroxy-7-pentyl-carbazole-4-carboxylate CAS Name: 9-[(2-cyanophenyl)methyl]-5-hydroxy-7-pentyl-4-carbazolecarboxylic acid methyl ester IUPAC Name: methyl 9-[(2-cyanophenyl)methyl]-5-hydroxy-7-pentylcarbazole-4-carboxylate Traditional Name: 7-amyl-9-(2-cyanobenzyl)-5-hydroxy-carbazole-4-carboxylic acid methyl ester Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C(=C1)O)C3=C(C=CC=C3N2CC4=CC=CC=C4C#N)C(=O)OC

Isomeric SMILES

CCCCCC1=CC2=C(C(=C1)O)C3=C(C=CC=C3N2CC4=CC=CC=C4C#N)C(=O)OC

InChI

InChI=1S/C27H26N2O3/c1-3-4-5-9-18-14-23-26(24(30)15-18)25-21(27(31)32-2)12-8-13-22(25)29(23)17-20-11-7-6-10-19(20)16-28/h6-8,10-15,30H,3-5,9,17H2,1-2H3