6-[(2-azanyl-3-methyl-3-oxidanyl-butanoyl)oxymethyl]-9-methoxy-phenazine-1-carboxylic acid

Systemtic Name: 6-[(2-azanyl-3-methyl-3-oxidanyl-butanoyl)oxymethyl]-9-methoxy-phenazine-1-carboxylic acid Openeye Name: 6-[(2-amino-3-hydroxy-3-methyl-butanoyl)oxymethyl]-9-methoxy-phenazine-1-carboxylic acid CAS Name: 6-[(2-amino-3-hydroxy-3-methyl-1-oxobutoxy)methyl]-9-methoxy-1-phenazinecarboxylic acid IUPAC Name: 6-[(2-amino-3-hydroxy-3-methylbutanoyl)oxymethyl]-9-methoxyphenazine-1-carboxylic acid Traditional Name: 6-[(2-amino-3-hydroxy-3-methyl-butanoyl)oxymethyl]-9-methoxy-phenazine-1-carboxylic acid Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)OCC1=CC=C(C2=NC3=C(C=CC=C3N=C12)C(=O)O)OC)N)O

Isomeric SMILES

CC(C)(C(C(=O)OCC1=CC=C(C2=NC3=C(C=CC=C3N=C12)C(=O)O)OC)N)O

InChI

InChI=1S/C20H21N3O6/c1-20(2,27)17(21)19(26)29-9-10-7-8-13(28-3)16-14(10)22-12-6-4-5-11(18(24)25)15(12)23-16/h4-8,17,27H,9,21H2,1-3H3,(H,24,25)