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

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 2-(3-methoxypropyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methoxypropyl)-1,3-dioxo-5-isoindolecarboxylic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(3-methoxypropyl)isoindoline-5-carboxylic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C21H20N2O6/c1-28-11-5-10-23-19(25)15-9-8-14(12-16(15)20(23)26)21(27)29-17(18(22)24)13-6-3-2-4-7-13/h2-4,6-9,12,17H,5,10-11H2,1H3,(H2,22,24)