2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1-[2-(dimethylamino)-2-oxidanylidene-ethyl]indole-6-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1-[2-(dimethylamino)-2-oxidanylidene-ethyl]indole-6-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1-[2-(dimethylamino)-2-oxo-ethyl]indole-6-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-6-indolecarboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]indole-6-carboxylic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1-[2-(dimethylamino)-2-keto-ethyl]indole-6-carboxylic acid Formula: C26H28N2O5 MolecularWeight: 448.51092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=CC4=C(C=C3)OCO4)C5CCCCC5

Isomeric SMILES

CN(C)C(=O)CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=CC4=C(C=C3)OCO4)C5CCCCC5

InChI

InChI=1S/C26H28N2O5/c1-27(2)23(29)14-28-20-12-18(26(30)31)8-10-19(20)24(16-6-4-3-5-7-16)25(28)17-9-11-21-22(13-17)33-15-32-21/h8-13,16H,3-7,14-15H2,1-2H3,(H,30,31)