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

Systemtic Name: 3-azanylidene-6-ethoxy-2-[2-oxidanylidene-2-(4-oxidanyl-3-propan-2-yl-phenyl)ethyl]-1H-isoindole-5-carboxylic acid Openeye Name: 6-ethoxy-2-[2-(4-hydroxy-3-isopropyl-phenyl)-2-oxo-ethyl]-3-imino-isoindoline-5-carboxylic acid CAS Name: 6-ethoxy-2-[2-(4-hydroxy-3-propan-2-ylphenyl)-2-oxoethyl]-3-imino-1H-isoindole-5-carboxylic acid IUPAC Name: 6-ethoxy-2-[2-(4-hydroxy-3-propan-2-ylphenyl)-2-oxoethyl]-3-imino-1H-isoindole-5-carboxylic acid Traditional Name: 6-ethoxy-2-[2-(4-hydroxy-3-isopropyl-phenyl)-2-keto-ethyl]-3-imino-isoindoline-5-carboxylic acid Formula: C22H24N2O5 MolecularWeight: 396.43636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5/c1-4-29-20-8-14-10-24(21(23)16(14)9-17(20)22(27)28)11-19(26)13-5-6-18(25)15(7-13)12(2)3/h5-9,12,23,25H,4,10-11H2,1-3H3,(H,27,28)