3-[6-chloranyl-2-methyl-5-(2-methylpropyl)-4-oxidanyl-3-oxidanylidene-2H-pyrazin-1-yl]indole-1-carboxylic acid

Systemtic Name: 3-[6-chloranyl-2-methyl-5-(2-methylpropyl)-4-oxidanyl-3-oxidanylidene-2H-pyrazin-1-yl]indole-1-carboxylic acid Openeye Name: 3-(6-chloro-4-hydroxy-5-isobutyl-2-methyl-3-oxo-2H-pyrazin-1-yl)indole-1-carboxylic acid CAS Name: 3-[6-chloro-4-hydroxy-2-methyl-5-(2-methylpropyl)-3-oxo-2H-pyrazin-1-yl]-1-indolecarboxylic acid IUPAC Name: 3-[6-chloro-4-hydroxy-2-methyl-5-(2-methylpropyl)-3-oxo-2H-pyrazin-1-yl]indole-1-carboxylic acid Traditional Name: 3-(6-chloro-4-hydroxy-5-isobutyl-3-keto-2-methyl-2H-pyrazin-1-yl)indole-1-carboxylic acid Formula: C18H20ClN3O4 MolecularWeight: 377.8221

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C(=C(N1C2=CN(C3=CC=CC=C32)C(=O)O)Cl)CC(C)C)O

Isomeric SMILES

CC1C(=O)N(C(=C(N1C2=CN(C3=CC=CC=C32)C(=O)O)Cl)CC(C)C)O

InChI

InChI=1S/C18H20ClN3O4/c1-10(2)8-14-16(19)21(11(3)17(23)22(14)26)15-9-20(18(24)25)13-7-5-4-6-12(13)15/h4-7,9-11,26H,8H2,1-3H3,(H,24,25)