4-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]-2-methyl-4-oxidanyl-1-oxidanylidene-3H-isoquinoline-3-carboxylic acid

Systemtic Name: 4-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]-2-methyl-4-oxidanyl-1-oxidanylidene-3H-isoquinoline-3-carboxylic acid Openeye Name: 4-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]-4-hydroxy-2-methyl-1-oxo-3H-isoquinoline-3-carboxylic acid CAS Name: 4-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]-4-hydroxy-2-methyl-1-oxo-3H-isoquinoline-3-carboxylic acid IUPAC Name: 4-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]-4-hydroxy-2-methyl-1-oxo-3H-isoquinoline-3-carboxylic acid Traditional Name: 4-[3,5-ditert-butyl-4-(methoxymethoxy)phenyl]-4-hydroxy-1-keto-2-methyl-3H-isoquinoline-3-carboxylic acid Formula: C27H35NO6 MolecularWeight: 469.5699

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OCOC)C(C)(C)C)C2(C(N(C(=O)C3=CC=CC=C32)C)C(=O)O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OCOC)C(C)(C)C)C2(C(N(C(=O)C3=CC=CC=C32)C)C(=O)O)O

InChI

InChI=1S/C27H35NO6/c1-25(2,3)19-13-16(14-20(26(4,5)6)21(19)34-15-33-8)27(32)18-12-10-9-11-17(18)23(29)28(7)22(27)24(30)31/h9-14,22,32H,15H2,1-8H3,(H,30,31)