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

Systemtic Name: ethyl 5-[2-(4-carbamimidoylphenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]pentanoate Openeye Name: ethyl 5-[2-(4-carbamimidoylphenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]pentanoate CAS Name: 5-[2-(4-carbamimidoylphenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-carbamimidoylphenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]pentanoate Traditional Name: 5-[2-(4-amidinophenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]valeric acid ethyl ester Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCN1CCC2(CC1)CC(=NO2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CCCCN1CCC2(CC1)CC(=NO2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H30N4O3/c1-2-27-19(26)5-3-4-12-25-13-10-21(11-14-25)15-18(24-28-21)16-6-8-17(9-7-16)20(22)23/h6-9H,2-5,10-15H2,1H3,(H3,22,23)