(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 1,3-dioxo-2-phenethyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenethyl-5-isoindolecarboxylic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 1,3-dioxo-2-phenethylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenethyl-isoindoline-5-carboxylic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C25H20N2O5 MolecularWeight: 428.4367

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OC(C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OC(C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C25H20N2O5/c26-22(28)21(17-9-5-2-6-10-17)32-25(31)18-11-12-19-20(15-18)24(30)27(23(19)29)14-13-16-7-3-1-4-8-16/h1-12,15,21H,13-14H2,(H2,26,28)