1-methyl-3-[2-oxidanyl-2-oxidanylidene-1-[4-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]piperazin-1-yl]ethyl]indole-5-carboxylic acid

Systemtic Name: 1-methyl-3-[2-oxidanyl-2-oxidanylidene-1-[4-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]piperazin-1-yl]ethyl]indole-5-carboxylic acid Openeye Name: 3-[2-hydroxy-2-oxo-1-[4-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]piperazin-1-yl]ethyl]-1-methyl-indole-5-carboxylic acid CAS Name: 3-[2-hydroxy-2-oxo-1-[4-[2-oxo-2-(2-oxolanylmethylamino)ethyl]-1-piperazinyl]ethyl]-1-methyl-5-indolecarboxylic acid IUPAC Name: 3-[2-hydroxy-2-oxo-1-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperazin-1-yl]ethyl]-1-methylindole-5-carboxylic acid Traditional Name: 3-[2-hydroxy-2-keto-1-[4-[2-keto-2-(tetrahydrofurfurylamino)ethyl]piperazino]ethyl]-1-methyl-indole-5-carboxylic acid Formula: C23H30N4O6 MolecularWeight: 458.5075

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)CC(=O)NCC4CCCO4

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)CC(=O)NCC4CCCO4

InChI

InChI=1S/C23H30N4O6/c1-25-13-18(17-11-15(22(29)30)4-5-19(17)25)21(23(31)32)27-8-6-26(7-9-27)14-20(28)24-12-16-3-2-10-33-16/h4-5,11,13,16,21H,2-3,6-10,12,14H2,1H3,(H,24,28)(H,29,30)(H,31,32)