tert-butyl 6-(3-isocyanophenyl)spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-carboxylate

Systemtic Name: tert-butyl 6-(3-isocyanophenyl)spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-carboxylate Openeye Name: tert-butyl 6-(3-isocyanophenyl)spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-carboxylate CAS Name: 6-(3-isocyanophenyl)-1'-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-(3-isocyanophenyl)spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-carboxylate Traditional Name: 6-(3-isocyanophenyl)spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-carboxylic acid tert-butyl ester Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2(CC1)C3=C(CCN2)C=C(C=C3)C4=CC(=CC=C4)[N+]#[C-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2(CC1)C3=C(CCN2)C=C(C=C3)C4=CC(=CC=C4)[N+]#[C-]

InChI

InChI=1S/C25H29N3O2/c1-24(2,3)30-23(29)28-14-11-25(12-15-28)22-9-8-19(16-20(22)10-13-27-25)18-6-5-7-21(17-18)26-4/h5-9,16-17,27H,10-15H2,1-3H3