4-[2-(4-carbamimidoylphenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-(4-carbamimidoylphenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(4-carbamimidoylphenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]-4-oxo-butanoic acid CAS Name: 4-[2-(4-carbamimidoylphenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]-4-oxobutanoic acid IUPAC Name: 4-[2-(4-carbamimidoylphenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]-4-oxobutanoic acid Traditional Name: 4-[2-(4-amidinophenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]-4-keto-butyric acid Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12CC(=NO2)C3=CC=C(C=C3)C(=N)N)C(=O)CCC(=O)O

Isomeric SMILES

C1CN(CCC12CC(=NO2)C3=CC=C(C=C3)C(=N)N)C(=O)CCC(=O)O

InChI

InChI=1S/C18H22N4O4/c19-17(20)13-3-1-12(2-4-13)14-11-18(26-21-14)7-9-22(10-8-18)15(23)5-6-16(24)25/h1-4H,5-11H2,(H3,19,20)(H,24,25)