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

Systemtic Name: tert-butyl 4-[2-(4-cyanophenyl)-3-oxidanylidene-4-oxa-2,8-diazaspiro[4.5]decan-8-yl]butanoate Openeye Name: tert-butyl 4-[2-(4-cyanophenyl)-3-oxo-4-oxa-2,8-diazaspiro[4.5]decan-8-yl]butanoate CAS Name: 4-[2-(4-cyanophenyl)-3-oxo-4-oxa-2,8-diazaspiro[4.5]decan-8-yl]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-cyanophenyl)-3-oxo-4-oxa-2,8-diazaspiro[4.5]decan-8-yl]butanoate Traditional Name: 4-[2-(4-cyanophenyl)-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)C#N

Isomeric SMILES

CC(C)(C)OC(=O)CCCN1CCC2(CC1)CN(C(=O)O2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H29N3O4/c1-21(2,3)28-19(26)5-4-12-24-13-10-22(11-14-24)16-25(20(27)29-22)18-8-6-17(15-23)7-9-18/h6-9H,4-5,10-14,16H2,1-3H3