hexyl 9-(phenylcarbonyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate

Systemtic Name: hexyl 9-(phenylcarbonyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate Openeye Name: hexyl 9-benzoyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate CAS Name: 9-benzoyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid hexyl ester IUPAC Name: hexyl 9-benzoyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate Traditional Name: 9-benzoyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid hexyl ester Formula: C26H29NO3 MolecularWeight: 403.51336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1CCC2=C(C1)C3=CC=CC=C3N2C(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCCOC(=O)C1CCC2=C(C1)C3=CC=CC=C3N2C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H29NO3/c1-2-3-4-10-17-30-26(29)20-15-16-24-22(18-20)21-13-8-9-14-23(21)27(24)25(28)19-11-6-5-7-12-19/h5-9,11-14,20H,2-4,10,15-18H2,1H3