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

Systemtic Name: 4-[2-(4-carbamimidoylphenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]butanoic acid Openeye Name: 4-[2-(4-carbamimidoylphenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]butanoic acid CAS Name: 4-[2-(4-carbamimidoylphenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]butanoic acid IUPAC Name: 4-[2-(4-carbamimidoylphenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]butanoic acid Traditional Name: 4-[2-(4-amidinophenyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]butyric acid Formula: C18H24N4O3 MolecularWeight: 344.40816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O3/c19-17(20)14-5-3-13(4-6-14)15-12-18(25-21-15)7-10-22(11-8-18)9-1-2-16(23)24/h3-6H,1-2,7-12H2,(H3,19,20)(H,23,24)