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

Systemtic Name: 3-azanylidene-6-ethoxy-2-[2-(3-ethyl-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]-1H-isoindole-5-carboxylic acid Openeye Name: 6-ethoxy-2-[2-(3-ethyl-4-hydroxy-phenyl)-2-oxo-ethyl]-3-imino-isoindoline-5-carboxylic acid CAS Name: 6-ethoxy-2-[2-(3-ethyl-4-hydroxyphenyl)-2-oxoethyl]-3-imino-1H-isoindole-5-carboxylic acid IUPAC Name: 6-ethoxy-2-[2-(3-ethyl-4-hydroxyphenyl)-2-oxoethyl]-3-imino-1H-isoindole-5-carboxylic acid Traditional Name: 6-ethoxy-2-[2-(3-ethyl-4-hydroxy-phenyl)-2-keto-ethyl]-3-imino-isoindoline-5-carboxylic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(=O)CN2CC3=CC(=C(C=C3C2=N)C(=O)O)OCC)O

Isomeric SMILES

CCC1=C(C=CC(=C1)C(=O)CN2CC3=CC(=C(C=C3C2=N)C(=O)O)OCC)O

InChI

InChI=1S/C21H22N2O5/c1-3-12-7-13(5-6-17(12)24)18(25)11-23-10-14-8-19(28-4-2)16(21(26)27)9-15(14)20(23)22/h5-9,22,24H,3-4,10-11H2,1-2H3,(H,26,27)