3-[9-(4-carbamimidoylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]propanoic acid

Systemtic Name: 3-[9-(4-carbamimidoylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]propanoic acid Openeye Name: 3-[9-(4-carbamimidoylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]propanoic acid CAS Name: 3-[9-(4-carbamimidoylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]propanoic acid IUPAC Name: 3-[9-(4-carbamimidoylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]propanoic acid Traditional Name: 3-[9-(4-amidinophenyl)-3,9-diazaspiro[5.5]undecan-3-yl]propionic acid Formula: C19H28N4O2 MolecularWeight: 344.45122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12CCN(CC2)C3=CC=C(C=C3)C(=N)N)CCC(=O)O

Isomeric SMILES

C1CN(CCC12CCN(CC2)C3=CC=C(C=C3)C(=N)N)CCC(=O)O

InChI

InChI=1S/C19H28N4O2/c20-18(21)15-1-3-16(4-2-15)23-13-8-19(9-14-23)6-11-22(12-7-19)10-5-17(24)25/h1-4H,5-14H2,(H3,20,21)(H,24,25)