ethyl 4-[3-(4-isocyanophenyl)carbonyl-9-oxidanylidene-11-oxa-3,8-diazaspiro[5.5]undecan-8-yl]butanoate

Systemtic Name: ethyl 4-[3-(4-isocyanophenyl)carbonyl-9-oxidanylidene-11-oxa-3,8-diazaspiro[5.5]undecan-8-yl]butanoate Openeye Name: ethyl 4-[3-(4-isocyanobenzoyl)-9-oxo-11-oxa-3,8-diazaspiro[5.5]undecan-8-yl]butanoate CAS Name: 4-[3-[(4-isocyanophenyl)-oxomethyl]-9-oxo-11-oxa-3,8-diazaspiro[5.5]undecan-8-yl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-isocyanobenzoyl)-9-oxo-11-oxa-3,8-diazaspiro[5.5]undecan-8-yl]butanoate Traditional Name: 4-[3-(4-isocyanobenzoyl)-9-keto-11-oxa-3,8-diazaspiro[5.5]undecan-8-yl]butyric acid ethyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1CC2(CCN(CC2)C(=O)C3=CC=C(C=C3)[N+]#[C-])OCC1=O

Isomeric SMILES

CCOC(=O)CCCN1CC2(CCN(CC2)C(=O)C3=CC=C(C=C3)[N+]#[C-])OCC1=O

InChI

InChI=1S/C22H27N3O5/c1-3-29-20(27)5-4-12-25-16-22(30-15-19(25)26)10-13-24(14-11-22)21(28)17-6-8-18(23-2)9-7-17/h6-9H,3-5,10-16H2,1H3