4-[[2,5-bis(oxidanyl)phenyl]methylamino]-7-methoxy-2-phenethyl-3H-isoindol-1-one

Systemtic Name: 4-[[2,5-bis(oxidanyl)phenyl]methylamino]-7-methoxy-2-phenethyl-3H-isoindol-1-one Openeye Name: 4-[(2,5-dihydroxyphenyl)methylamino]-7-methoxy-2-phenethyl-isoindolin-1-one CAS Name: 4-[(2,5-dihydroxyphenyl)methylamino]-7-methoxy-2-phenethyl-3H-isoindol-1-one IUPAC Name: 4-[(2,5-dihydroxyphenyl)methylamino]-7-methoxy-2-phenethyl-3H-isoindol-1-one Traditional Name: 4-[(2,5-dihydroxybenzyl)amino]-7-methoxy-2-phenethyl-isoindolin-1-one Formula: C24H24N2O4 MolecularWeight: 404.45836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)NCC3=C(C=CC(=C3)O)O)CN(C2=O)CCC4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=C(C=C1)NCC3=C(C=CC(=C3)O)O)CN(C2=O)CCC4=CC=CC=C4

InChI

InChI=1S/C24H24N2O4/c1-30-22-10-8-20(25-14-17-13-18(27)7-9-21(17)28)19-15-26(24(29)23(19)22)12-11-16-5-3-2-4-6-16/h2-10,13,25,27-28H,11-12,14-15H2,1H3