1-methyl-3-[1-[4-(2-methylprop-2-enyl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]indole-2-carboxylic acid

Systemtic Name: 1-methyl-3-[1-[4-(2-methylprop-2-enyl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]indole-2-carboxylic acid Openeye Name: 3-[2-hydroxy-1-[4-(2-methylallyl)piperazin-1-yl]-2-oxo-ethyl]-1-methyl-indole-2-carboxylic acid CAS Name: 3-[2-hydroxy-1-[4-(2-methylprop-2-enyl)-1-piperazinyl]-2-oxoethyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[2-hydroxy-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]-2-oxoethyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[2-hydroxy-2-keto-1-[4-(2-methylallyl)piperazino]ethyl]-1-methyl-indole-2-carboxylic acid Formula: C20H25N3O4 MolecularWeight: 371.4302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1CCN(CC1)C(C2=C(N(C3=CC=CC=C32)C)C(=O)O)C(=O)O

Isomeric SMILES

CC(=C)CN1CCN(CC1)C(C2=C(N(C3=CC=CC=C32)C)C(=O)O)C(=O)O

InChI

InChI=1S/C20H25N3O4/c1-13(2)12-22-8-10-23(11-9-22)18(20(26)27)16-14-6-4-5-7-15(14)21(3)17(16)19(24)25/h4-7,18H,1,8-12H2,2-3H3,(H,24,25)(H,26,27)