2-[1-(3-ethoxy-4-methoxy-phenyl)-3-oxidanylidene-butyl]isoindole-1,3-dione

Systemtic Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-3-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-3-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-3-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-3-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-3-keto-butyl]isoindoline-1,3-quinone Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC(=O)C)N2C(=O)C3=CC=CC=C3C2=O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC(=O)C)N2C(=O)C3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C21H21NO5/c1-4-27-19-12-14(9-10-18(19)26-3)17(11-13(2)23)22-20(24)15-7-5-6-8-16(15)21(22)25/h5-10,12,17H,4,11H2,1-3H3