methyl 8-[(3-cyanophenyl)methyl]-5-oxidanylidene-7-pentyl-6,7,8,9-tetrahydrocarbazole-4-carboxylate

Systemtic Name: methyl 8-[(3-cyanophenyl)methyl]-5-oxidanylidene-7-pentyl-6,7,8,9-tetrahydrocarbazole-4-carboxylate Openeye Name: methyl 8-[(3-cyanophenyl)methyl]-5-oxo-7-pentyl-6,7,8,9-tetrahydrocarbazole-4-carboxylate CAS Name: 8-[(3-cyanophenyl)methyl]-5-oxo-7-pentyl-6,7,8,9-tetrahydrocarbazole-4-carboxylic acid methyl ester IUPAC Name: methyl 8-[(3-cyanophenyl)methyl]-5-oxo-7-pentyl-6,7,8,9-tetrahydrocarbazole-4-carboxylate Traditional Name: 7-amyl-8-(3-cyanobenzyl)-5-keto-6,7,8,9-tetrahydrocarbazole-4-carboxylic acid methyl ester Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CC(=O)C2=C(C1CC3=CC=CC(=C3)C#N)NC4=CC=CC(=C42)C(=O)OC

Isomeric SMILES

CCCCCC1CC(=O)C2=C(C1CC3=CC=CC(=C3)C#N)NC4=CC=CC(=C42)C(=O)OC

InChI

InChI=1S/C27H28N2O3/c1-3-4-5-10-19-15-23(30)25-24-20(27(31)32-2)11-7-12-22(24)29-26(25)21(19)14-17-8-6-9-18(13-17)16-28/h6-9,11-13,19,21,29H,3-5,10,14-15H2,1-2H3