2-[(1S)-1-(4-methoxy-3-phenylmethoxy-phenyl)but-3-enyl]isoindole-1,3-dione

Systemtic Name: 2-[(1S)-1-(4-methoxy-3-phenylmethoxy-phenyl)but-3-enyl]isoindole-1,3-dione Openeye Name: 2-[(1S)-1-(3-benzyloxy-4-methoxy-phenyl)but-3-enyl]isoindoline-1,3-dione CAS Name: 2-[(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)but-3-enyl]isoindole-1,3-dione IUPAC Name: 2-[(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)but-3-enyl]isoindole-1,3-dione Traditional Name: 2-[(1S)-1-(3-benzoxy-4-methoxy-phenyl)but-3-enyl]isoindoline-1,3-quinone Formula: C26H23NO4 MolecularWeight: 413.46512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC=C)N2C(=O)C3=CC=CC=C3C2=O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CC=C)N2C(=O)C3=CC=CC=C3C2=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H23NO4/c1-3-9-22(27-25(28)20-12-7-8-13-21(20)26(27)29)19-14-15-23(30-2)24(16-19)31-17-18-10-5-4-6-11-18/h3-8,10-16,22H,1,9,17H2,2H3/t22-/m0/s1