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

Systemtic Name: 3-[[6-chloranyl-5-(2-methylpropyl)-4-oxidanyl-3-oxidanylidene-pyrazin-2-yl]methyl]indole-1-carboxylic acid Openeye Name: 3-[(6-chloro-4-hydroxy-5-isobutyl-3-oxo-pyrazin-2-yl)methyl]indole-1-carboxylic acid CAS Name: 3-[[6-chloro-4-hydroxy-5-(2-methylpropyl)-3-oxo-2-pyrazinyl]methyl]-1-indolecarboxylic acid IUPAC Name: 3-[[6-chloro-4-hydroxy-5-(2-methylpropyl)-3-oxopyrazin-2-yl]methyl]indole-1-carboxylic acid Traditional Name: 3-[(6-chloro-4-hydroxy-5-isobutyl-3-keto-pyrazin-2-yl)methyl]indole-1-carboxylic acid Formula: C18H18ClN3O4 MolecularWeight: 375.80622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(N=C(C(=O)N1O)CC2=CN(C3=CC=CC=C32)C(=O)O)Cl

Isomeric SMILES

CC(C)CC1=C(N=C(C(=O)N1O)CC2=CN(C3=CC=CC=C32)C(=O)O)Cl

InChI

InChI=1S/C18H18ClN3O4/c1-10(2)7-15-16(19)20-13(17(23)22(15)26)8-11-9-21(18(24)25)14-6-4-3-5-12(11)14/h3-6,9-10,26H,7-8H2,1-2H3,(H,24,25)