ethyl 5-[2-(4-carbamimidoylphenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]-5-oxidanylidene-pentanoate hydrochloride

Systemtic Name: ethyl 5-[2-(4-carbamimidoylphenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]-5-oxidanylidene-pentanoate hydrochloride Openeye Name: ethyl 5-[2-(4-carbamimidoylphenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]-5-oxo-pentanoate hydrochloride CAS Name: 5-[2-(4-carbamimidoylphenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]-5-oxopentanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 5-[2-(4-carbamimidoylphenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]-5-oxopentanoate hydrochloride Traditional Name: 5-[2-(4-amidinophenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]-5-keto-valeric acid ethyl ester hydrochloride Formula: C21H29ClN4O4 MolecularWeight: 436.93236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC(=O)N1CCC2(CC1)CC(=NO2)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

CCOC(=O)CCCC(=O)N1CCC2(CC1)CC(=NO2)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C21H28N4O4.ClH/c1-2-28-19(27)5-3-4-18(26)25-12-10-21(11-13-25)14-17(24-29-21)15-6-8-16(9-7-15)20(22)23;/h6-9H,2-5,10-14H2,1H3,(H3,22,23);1H