2,3-dihydroisoindol-1-one; 2-(4-hydroxyphenyl)-3-methyl-1-pentyl-indol-5-ol

Systemtic Name: 2,3-dihydroisoindol-1-one; 2-(4-hydroxyphenyl)-3-methyl-1-pentyl-indol-5-ol Openeye Name: 2-(4-hydroxyphenyl)-3-methyl-1-pentyl-indol-5-ol; isoindolin-1-one CAS Name: 2,3-dihydroisoindol-1-one; 2-(4-hydroxyphenyl)-3-methyl-1-pentyl-5-indolol IUPAC Name: 2,3-dihydroisoindol-1-one; 2-(4-hydroxyphenyl)-3-methyl-1-pentylindol-5-ol Traditional Name: 1-amyl-2-(4-hydroxyphenyl)-3-methyl-indol-5-ol; isoindolin-1-one Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=C(C=C2)O)C(=C1C3=CC=C(C=C3)O)C.C1C2=CC=CC=C2C(=O)N1

Isomeric SMILES

CCCCCN1C2=C(C=C(C=C2)O)C(=C1C3=CC=C(C=C3)O)C.C1C2=CC=CC=C2C(=O)N1

InChI

InChI=1S/C20H23NO2.C8H7NO/c1-3-4-5-12-21-19-11-10-17(23)13-18(19)14(2)20(21)15-6-8-16(22)9-7-15;10-8-7-4-2-1-3-6(7)5-9-8/h6-11,13,22-23H,3-5,12H2,1-2H3;1-4H,5H2,(H,9,10)