tert-butyl 3-(4-isocyanophenyl)carbonyl-3,9-diazaspiro[5.5]undecane-9-carboxylate

Systemtic Name: tert-butyl 3-(4-isocyanophenyl)carbonyl-3,9-diazaspiro[5.5]undecane-9-carboxylate Openeye Name: tert-butyl 3-(4-isocyanobenzoyl)-3,9-diazaspiro[5.5]undecane-9-carboxylate CAS Name: 3-[(4-isocyanophenyl)-oxomethyl]-3,9-diazaspiro[5.5]undecane-9-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-isocyanobenzoyl)-3,9-diazaspiro[5.5]undecane-9-carboxylate Traditional Name: 3-(4-isocyanobenzoyl)-3,9-diazaspiro[5.5]undecane-9-carboxylic acid tert-butyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2(CCN(CC2)C(=O)C3=CC=C(C=C3)[N+]#[C-])CC1

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2(CCN(CC2)C(=O)C3=CC=C(C=C3)[N+]#[C-])CC1

InChI

InChI=1S/C22H29N3O3/c1-21(2,3)28-20(27)25-15-11-22(12-16-25)9-13-24(14-10-22)19(26)17-5-7-18(23-4)8-6-17/h5-8H,9-16H2,1-3H3