1-[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-4-isoquinolin-4-yl-piperidin-4-ol

Systemtic Name: 1-[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-4-isoquinolin-4-yl-piperidin-4-ol Openeye Name: 1-[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-4-(4-isoquinolyl)piperidin-4-ol CAS Name: 1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-(4-isoquinolinyl)-4-piperidinol IUPAC Name: 1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-isoquinolin-4-ylpiperidin-4-ol Traditional Name: 1-[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-4-(4-isoquinolyl)piperidin-4-ol Formula: C27H34N2O3 MolecularWeight: 434.57046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(CN2CCC(CC2)(C3=CN=CC4=CC=CC=C43)O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(CN2CCC(CC2)(C3=CN=CC4=CC=CC=C43)O)O

InChI

InChI=1S/C27H34N2O3/c1-26(2,3)21-8-10-23(11-9-21)32-19-22(30)18-29-14-12-27(31,13-15-29)25-17-28-16-20-6-4-5-7-24(20)25/h4-11,16-17,22,30-31H,12-15,18-19H2,1-3H3