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

Systemtic Name: 4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 4-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-methyl-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methyl-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methyl-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-keto-2-methyl-isoquinoline-3-carboxylic acid Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)O

InChI

InChI=1S/C25H29NO4/c1-24(2,3)17-12-14(13-18(21(17)27)25(4,5)6)19-15-10-8-9-11-16(15)22(28)26(7)20(19)23(29)30/h8-13,27H,1-7H3,(H,29,30)