3-azanylidene-6-ethoxy-2-[2-(3-methyl-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]-1H-isoindole-5-carboxylic acid

Systemtic Name: 3-azanylidene-6-ethoxy-2-[2-(3-methyl-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]-1H-isoindole-5-carboxylic acid Openeye Name: 6-ethoxy-2-[2-(4-hydroxy-3-methyl-phenyl)-2-oxo-ethyl]-3-imino-isoindoline-5-carboxylic acid CAS Name: 6-ethoxy-2-[2-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-3-imino-1H-isoindole-5-carboxylic acid IUPAC Name: 6-ethoxy-2-[2-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-3-imino-1H-isoindole-5-carboxylic acid Traditional Name: 6-ethoxy-2-[2-(4-hydroxy-3-methyl-phenyl)-2-keto-ethyl]-3-imino-isoindoline-5-carboxylic acid Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C(C=C3)O)C)C(=O)O

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C(C=C3)O)C)C(=O)O

InChI

InChI=1S/C20H20N2O5/c1-3-27-18-7-13-9-22(19(21)14(13)8-15(18)20(25)26)10-17(24)12-4-5-16(23)11(2)6-12/h4-8,21,23H,3,9-10H2,1-2H3,(H,25,26)