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

Systemtic Name: ethyl 4-[3-(4-carbamimidoylphenyl)carbonyl-9-oxidanylidene-11-oxa-3,8-diazaspiro[5.5]undecan-8-yl]butanoate Openeye Name: ethyl 4-[3-(4-carbamimidoylbenzoyl)-9-oxo-11-oxa-3,8-diazaspiro[5.5]undecan-8-yl]butanoate CAS Name: 4-[3-[(4-carbamimidoylphenyl)-oxomethyl]-9-oxo-11-oxa-3,8-diazaspiro[5.5]undecan-8-yl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-carbamimidoylbenzoyl)-9-oxo-11-oxa-3,8-diazaspiro[5.5]undecan-8-yl]butanoate Traditional Name: 4-[3-(4-amidinobenzoyl)-9-keto-11-oxa-3,8-diazaspiro[5.5]undecan-8-yl]butyric acid ethyl ester Formula: C22H30N4O5 MolecularWeight: 430.4974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1CC2(CCN(CC2)C(=O)C3=CC=C(C=C3)C(=N)N)OCC1=O

Isomeric SMILES

CCOC(=O)CCCN1CC2(CCN(CC2)C(=O)C3=CC=C(C=C3)C(=N)N)OCC1=O

InChI

InChI=1S/C22H30N4O5/c1-2-30-19(28)4-3-11-26-15-22(31-14-18(26)27)9-12-25(13-10-22)21(29)17-7-5-16(6-8-17)20(23)24/h5-8H,2-4,9-15H2,1H3,(H3,23,24)