tert-butyl 5-methyl-1-oxidanylidene-2-(phenylmethyl)spiro[3H-isoquinoline-4,4'-piperidine]-1'-carboxylate

Systemtic Name: tert-butyl 5-methyl-1-oxidanylidene-2-(phenylmethyl)spiro[3H-isoquinoline-4,4'-piperidine]-1'-carboxylate Openeye Name: tert-butyl 2-benzyl-5-methyl-1-oxo-spiro[3H-isoquinoline-4,4'-piperidine]-1'-carboxylate CAS Name: 5-methyl-1-oxo-2-(phenylmethyl)-1'-spiro[3H-isoquinoline-4,4'-piperidine]carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-benzyl-5-methyl-1-oxospiro[3H-isoquinoline-4,4'-piperidine]-1'-carboxylate Traditional Name: 2-benzyl-1-keto-5-methyl-spiro[3H-isoquinoline-4,4'-piperidine]-1'-carboxylic acid tert-butyl ester Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C3(CCN(CC3)C(=O)OC(C)(C)C)CN(C2=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1C3(CCN(CC3)C(=O)OC(C)(C)C)CN(C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H32N2O3/c1-19-9-8-12-21-22(19)26(13-15-27(16-14-26)24(30)31-25(2,3)4)18-28(23(21)29)17-20-10-6-5-7-11-20/h5-12H,13-18H2,1-4H3