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

Systemtic Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-3-oxidanylidene-butyl]-4-(1H-pyrrol-2-yl)isoindole-1,3-dione Openeye Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-3-oxo-butyl]-4-(1H-pyrrol-2-yl)isoindoline-1,3-dione CAS Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-3-oxobutyl]-4-(1H-pyrrol-2-yl)isoindole-1,3-dione IUPAC Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-3-oxobutyl]-4-(1H-pyrrol-2-yl)isoindole-1,3-dione Traditional Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-3-keto-butyl]-4-(1H-pyrrol-2-yl)isoindoline-1,3-quinone Formula: C25H24N2O5 MolecularWeight: 432.46846

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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)C4=CC=CN4)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC(=O)C)N2C(=O)C3=CC=CC(=C3C2=O)C4=CC=CN4)OC

InChI

InChI=1S/C25H24N2O5/c1-4-32-22-14-16(10-11-21(22)31-3)20(13-15(2)28)27-24(29)18-8-5-7-17(23(18)25(27)30)19-9-6-12-26-19/h5-12,14,20,26H,4,13H2,1-3H3