9-butyl-7-ethoxy-5-(3-phenylpropoxy)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid

Systemtic Name: 9-butyl-7-ethoxy-5-(3-phenylpropoxy)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid Openeye Name: 9-butyl-7-ethoxy-5-(3-phenylpropoxy)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid CAS Name: 9-butyl-7-ethoxy-5-(3-phenylpropoxy)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid IUPAC Name: 9-butyl-7-ethoxy-5-(3-phenylpropoxy)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid Traditional Name: 9-butyl-7-ethoxy-5-(3-phenylpropoxy)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid Formula: C28H35NO4 MolecularWeight: 449.5818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(CCC2)C(=O)O)C3=C(C=C(C=C31)OCC)OCCCC4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(C(CCC2)C(=O)O)C3=C(C=C(C=C31)OCC)OCCCC4=CC=CC=C4

InChI

InChI=1S/C28H35NO4/c1-3-5-16-29-23-15-9-14-22(28(30)31)26(23)27-24(29)18-21(32-4-2)19-25(27)33-17-10-13-20-11-7-6-8-12-20/h6-8,11-12,18-19,22H,3-5,9-10,13-17H2,1-2H3,(H,30,31)