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

Systemtic Name: 5-azanyl-4-[2-(3-cyclopentyl-5-methyl-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]-2-ethoxy-7H-pyrrolo[3,4-b]pyridine-3-carboxylic acid Openeye Name: 5-amino-4-[2-(3-cyclopentyl-4-hydroxy-5-methyl-phenyl)-2-oxo-ethyl]-2-ethoxy-7H-pyrrolo[3,4-b]pyridine-3-carboxylic acid CAS Name: 5-amino-4-[2-(3-cyclopentyl-4-hydroxy-5-methylphenyl)-2-oxoethyl]-2-ethoxy-7H-pyrrolo[3,4-b]pyridine-3-carboxylic acid IUPAC Name: 5-amino-4-[2-(3-cyclopentyl-4-hydroxy-5-methylphenyl)-2-oxoethyl]-2-ethoxy-7H-pyrrolo[3,4-b]pyridine-3-carboxylic acid Traditional Name: 5-amino-4-[2-(3-cyclopentyl-4-hydroxy-5-methyl-phenyl)-2-keto-ethyl]-2-ethoxy-7H-pyrrolo[3,4-b]pyridine-3-carboxylic acid Formula: C24H27N3O5 MolecularWeight: 437.48828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C2C(=N1)CN=C2N)CC(=O)C3=CC(=C(C(=C3)C)O)C4CCCC4)C(=O)O

Isomeric SMILES

CCOC1=C(C(=C2C(=N1)CN=C2N)CC(=O)C3=CC(=C(C(=C3)C)O)C4CCCC4)C(=O)O

InChI

InChI=1S/C24H27N3O5/c1-3-32-23-20(24(30)31)16(19-17(27-23)11-26-22(19)25)10-18(28)14-8-12(2)21(29)15(9-14)13-6-4-5-7-13/h8-9,13,29H,3-7,10-11H2,1-2H3,(H2,25,26)(H,30,31)