2-[1-(3,4-diethoxyphenyl)-3-phenyl-propyl]isoindole-1,3-dione

Systemtic Name: 2-[1-(3,4-diethoxyphenyl)-3-phenyl-propyl]isoindole-1,3-dione Openeye Name: 2-[1-(3,4-diethoxyphenyl)-3-phenyl-propyl]isoindoline-1,3-dione CAS Name: 2-[1-(3,4-diethoxyphenyl)-3-phenylpropyl]isoindole-1,3-dione IUPAC Name: 2-[1-(3,4-diethoxyphenyl)-3-phenylpropyl]isoindole-1,3-dione Traditional Name: 2-[1-(3,4-diethoxyphenyl)-3-phenyl-propyl]isoindoline-1,3-quinone Formula: C27H27NO4 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CCC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CCC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)OCC

InChI

InChI=1S/C27H27NO4/c1-3-31-24-17-15-20(18-25(24)32-4-2)23(16-14-19-10-6-5-7-11-19)28-26(29)21-12-8-9-13-22(21)27(28)30/h5-13,15,17-18,23H,3-4,14,16H2,1-2H3