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

Systemtic Name: 1-methyl-3-[1-[4-(2-methylprop-2-enyl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]indole-5-carboxylic acid Openeye Name: 3-[2-hydroxy-1-[4-(2-methylallyl)piperazin-1-yl]-2-oxo-ethyl]-1-methyl-indole-5-carboxylic acid CAS Name: 3-[2-hydroxy-1-[4-(2-methylprop-2-enyl)-1-piperazinyl]-2-oxoethyl]-1-methyl-5-indolecarboxylic acid IUPAC Name: 3-[2-hydroxy-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]-2-oxoethyl]-1-methylindole-5-carboxylic acid Traditional Name: 3-[2-hydroxy-2-keto-1-[4-(2-methylallyl)piperazino]ethyl]-1-methyl-indole-5-carboxylic acid Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)C(=O)O)C)C(=O)O

Isomeric SMILES

CC(=C)CN1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)C(=O)O)C)C(=O)O

InChI

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