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

Systemtic Name: 4-azanyl-2-[1-(2-ethoxy-4-methoxy-phenyl)-3-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 4-amino-2-[1-(2-ethoxy-4-methoxy-phenyl)-3-oxo-butyl]isoindoline-1,3-dione CAS Name: 4-amino-2-[1-(2-ethoxy-4-methoxyphenyl)-3-oxobutyl]isoindole-1,3-dione IUPAC Name: 4-amino-2-[1-(2-ethoxy-4-methoxyphenyl)-3-oxobutyl]isoindole-1,3-dione Traditional Name: 4-amino-2-[1-(2-ethoxy-4-methoxy-phenyl)-3-keto-butyl]isoindoline-1,3-quinone Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)OC)C(CC(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)N

Isomeric SMILES

CCOC1=C(C=CC(=C1)OC)C(CC(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)N

InChI

InChI=1S/C21H22N2O5/c1-4-28-18-11-13(27-3)8-9-14(18)17(10-12(2)24)23-20(25)15-6-5-7-16(22)19(15)21(23)26/h5-9,11,17H,4,10,22H2,1-3H3