6-tert-butyl-9-(4-hexoxyphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid

Systemtic Name: 6-tert-butyl-9-(4-hexoxyphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid Openeye Name: 6-tert-butyl-9-(4-hexoxybenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid CAS Name: 6-tert-butyl-9-[(4-hexoxyphenyl)-oxomethyl]-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid IUPAC Name: 6-tert-butyl-9-(4-hexoxybenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid Traditional Name: 6-tert-butyl-9-(4-hexoxybenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid Formula: C30H37NO4 MolecularWeight: 475.61908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)N2C3=C(CC(CC3)C(=O)O)C4=C2C=CC(=C4)C(C)(C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)N2C3=C(CC(CC3)C(=O)O)C4=C2C=CC(=C4)C(C)(C)C

InChI

InChI=1S/C30H37NO4/c1-5-6-7-8-17-35-23-13-9-20(10-14-23)28(32)31-26-15-11-21(29(33)34)18-24(26)25-19-22(30(2,3)4)12-16-27(25)31/h9-10,12-14,16,19,21H,5-8,11,15,17-18H2,1-4H3,(H,33,34)