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

Systemtic Name: 3-[2-(4-carbamimidoylphenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]propanoic acid Openeye Name: 3-[2-(4-carbamimidoylphenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]propanoic acid CAS Name: 3-[2-(4-carbamimidoylphenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]propanoic acid IUPAC Name: 3-[2-(4-carbamimidoylphenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]propanoic acid Traditional Name: 3-[2-(4-amidinophenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]propionic acid Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3/c18-16(19)13-3-1-12(2-4-13)14-11-17(24-20-14)6-9-21(10-7-17)8-5-15(22)23/h1-4H,5-11H2,(H3,18,19)(H,22,23)