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

Systemtic Name: 3-azanylidene-6-ethoxy-2-[2-oxidanylidene-2-(3-phenylphenyl)ethyl]-1H-isoindole-5-carboxylic acid Openeye Name: 6-ethoxy-3-imino-2-[2-oxo-2-(3-phenylphenyl)ethyl]isoindoline-5-carboxylic acid CAS Name: 6-ethoxy-3-imino-2-[2-oxo-2-(3-phenylphenyl)ethyl]-1H-isoindole-5-carboxylic acid IUPAC Name: 6-ethoxy-3-imino-2-[2-oxo-2-(3-phenylphenyl)ethyl]-1H-isoindole-5-carboxylic acid Traditional Name: 6-ethoxy-3-imino-2-[2-keto-2-(3-phenylphenyl)ethyl]isoindoline-5-carboxylic acid Formula: C25H22N2O4 MolecularWeight: 414.45318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CN(C2=N)CC(=O)C3=CC=CC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CN(C2=N)CC(=O)C3=CC=CC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H22N2O4/c1-2-31-23-12-19-14-27(24(26)20(19)13-21(23)25(29)30)15-22(28)18-10-6-9-17(11-18)16-7-4-3-5-8-16/h3-13,26H,2,14-15H2,1H3,(H,29,30)