2,6-ditert-butyl-4-[2-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-1,3-thiazol-4-yl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[2-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-1,3-thiazol-4-yl]phenol Openeye Name: 2,6-ditert-butyl-4-[2-[1-(1H-pyrrol-2-ylmethyl)-4-piperidyl]thiazol-4-yl]phenol CAS Name: 2,6-ditert-butyl-4-[2-[1-(1H-pyrrol-2-ylmethyl)-4-piperidinyl]-4-thiazolyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[2-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-1,3-thiazol-4-yl]phenol Traditional Name: 2,6-ditert-butyl-4-[2-[1-(1H-pyrrol-2-ylmethyl)-4-piperidyl]thiazol-4-yl]phenol Formula: C27H37N3OS MolecularWeight: 451.66718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=N2)C3CCN(CC3)CC4=CC=CN4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=N2)C3CCN(CC3)CC4=CC=CN4

InChI

InChI=1S/C27H37N3OS/c1-26(2,3)21-14-19(15-22(24(21)31)27(4,5)6)23-17-32-25(29-23)18-9-12-30(13-10-18)16-20-8-7-11-28-20/h7-8,11,14-15,17-18,28,31H,9-10,12-13,16H2,1-6H3