7-azanyl-4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]-3-ethoxy-5H-pyrrolo[3,4-b]pyridine-2-carboxylic acid

Systemtic Name: 7-azanyl-4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]-3-ethoxy-5H-pyrrolo[3,4-b]pyridine-2-carboxylic acid Openeye Name: 7-amino-4-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-oxo-ethyl]-3-ethoxy-5H-pyrrolo[3,4-b]pyridine-2-carboxylic acid CAS Name: 7-amino-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxoethyl]-3-ethoxy-5H-pyrrolo[3,4-b]pyridine-2-carboxylic acid IUPAC Name: 7-amino-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxoethyl]-3-ethoxy-5H-pyrrolo[3,4-b]pyridine-2-carboxylic acid Traditional Name: 7-amino-4-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-keto-ethyl]-3-ethoxy-5H-pyrrolo[3,4-b]pyridine-2-carboxylic acid Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(N=C2C(=C1CC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)CN=C2N)C(=O)O

Isomeric SMILES

CCOC1=C(N=C2C(=C1CC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)CN=C2N)C(=O)O

InChI

InChI=1S/C26H33N3O5/c1-8-34-22-14(15-12-28-23(27)19(15)29-20(22)24(32)33)11-18(30)13-9-16(25(2,3)4)21(31)17(10-13)26(5,6)7/h9-10,31H,8,11-12H2,1-7H3,(H2,27,28)(H,32,33)