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

Systemtic Name: 3-azanyl-1-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]-6-ethoxy-1H-isoindole-5-carboxylic acid Openeye Name: 3-amino-1-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-oxo-ethyl]-6-ethoxy-1H-isoindole-5-carboxylic acid CAS Name: 3-amino-1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxoethyl]-6-ethoxy-1H-isoindole-5-carboxylic acid IUPAC Name: 3-amino-1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxoethyl]-6-ethoxy-1H-isoindole-5-carboxylic acid Traditional Name: 3-amino-1-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-keto-ethyl]-6-ethoxy-1H-isoindole-5-carboxylic acid Formula: C27H34N2O5 MolecularWeight: 466.56926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(N=C2N)CC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C(=O)O

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(N=C2N)CC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C(=O)O

InChI

InChI=1S/C27H34N2O5/c1-8-34-22-12-15-16(11-17(22)25(32)33)24(28)29-20(15)13-21(30)14-9-18(26(2,3)4)23(31)19(10-14)27(5,6)7/h9-12,20,31H,8,13H2,1-7H3,(H2,28,29)(H,32,33)