N-tert-butyl-2-[3-(2-methylphenoxy)-2-oxidanyl-propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-tert-butyl-2-[3-(2-methylphenoxy)-2-oxidanyl-propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-tert-butyl-2-[2-hydroxy-3-(2-methylphenoxy)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-tert-butyl-2-[2-hydroxy-3-(2-methylphenoxy)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-tert-butyl-2-[2-hydroxy-3-(2-methylphenoxy)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-tert-butyl-2-[2-hydroxy-3-(2-methylphenoxy)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H32N2O3 MolecularWeight: 396.52248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2CC3=CC=CC=C3CC2C(=O)NC(C)(C)C)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CN2CC3=CC=CC=C3CC2C(=O)NC(C)(C)C)O

InChI

InChI=1S/C24H32N2O3/c1-17-9-5-8-12-22(17)29-16-20(27)15-26-14-19-11-7-6-10-18(19)13-21(26)23(28)25-24(2,3)4/h5-12,20-21,27H,13-16H2,1-4H3,(H,25,28)