tert-butyl 4-[2-(4-isocyanophenyl)-3-oxidanylidene-4-oxa-2,8-diazaspiro[4.5]decan-8-yl]butanoate

Systemtic Name: tert-butyl 4-[2-(4-isocyanophenyl)-3-oxidanylidene-4-oxa-2,8-diazaspiro[4.5]decan-8-yl]butanoate Openeye Name: tert-butyl 4-[2-(4-isocyanophenyl)-3-oxo-4-oxa-2,8-diazaspiro[4.5]decan-8-yl]butanoate CAS Name: 4-[2-(4-isocyanophenyl)-3-oxo-4-oxa-2,8-diazaspiro[4.5]decan-8-yl]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-isocyanophenyl)-3-oxo-4-oxa-2,8-diazaspiro[4.5]decan-8-yl]butanoate Traditional Name: 4-[2-(4-isocyanophenyl)-3-keto-4-oxa-2,8-diazaspiro[4.5]decan-8-yl]butyric acid tert-butyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCN1CCC2(CC1)CN(C(=O)O2)C3=CC=C(C=C3)[N+]#[C-]

Isomeric SMILES

CC(C)(C)OC(=O)CCCN1CCC2(CC1)CN(C(=O)O2)C3=CC=C(C=C3)[N+]#[C-]

InChI

InChI=1S/C22H29N3O4/c1-21(2,3)28-19(26)6-5-13-24-14-11-22(12-15-24)16-25(20(27)29-22)18-9-7-17(23-4)8-10-18/h7-10H,5-6,11-16H2,1-3H3