3-azanyl-1-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]-6-(dimethylamino)-1H-isoindole-5-carboxylic acid

Systemtic Name: 3-azanyl-1-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]-6-(dimethylamino)-1H-isoindole-5-carboxylic acid Openeye Name: 3-amino-1-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-oxo-ethyl]-6-(dimethylamino)-1H-isoindole-5-carboxylic acid CAS Name: 3-amino-1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxoethyl]-6-(dimethylamino)-1H-isoindole-5-carboxylic acid IUPAC Name: 3-amino-1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxoethyl]-6-(dimethylamino)-1H-isoindole-5-carboxylic acid Traditional Name: 3-amino-1-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-keto-ethyl]-6-(dimethylamino)-1H-isoindole-5-carboxylic acid Formula: C27H35N3O4 MolecularWeight: 465.5845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CC2C3=CC(=C(C=C3C(=N2)N)C(=O)O)N(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CC2C3=CC(=C(C=C3C(=N2)N)C(=O)O)N(C)C

InChI

InChI=1S/C27H35N3O4/c1-26(2,3)18-9-14(10-19(23(18)32)27(4,5)6)22(31)13-20-15-12-21(30(7)8)17(25(33)34)11-16(15)24(28)29-20/h9-12,20,32H,13H2,1-8H3,(H2,28,29)(H,33,34)