2-[9-[(4-carbamimidoylphenyl)methyl]-4-oxidanylidene-5-oxa-9-azaspiro[5.5]undecan-3-yl]ethanoic acid

Systemtic Name: 2-[9-[(4-carbamimidoylphenyl)methyl]-4-oxidanylidene-5-oxa-9-azaspiro[5.5]undecan-3-yl]ethanoic acid Openeye Name: 2-[9-[(4-carbamimidoylphenyl)methyl]-4-oxo-5-oxa-9-azaspiro[5.5]undecan-3-yl]acetic acid CAS Name: 2-[9-[(4-carbamimidoylphenyl)methyl]-4-oxo-5-oxa-9-azaspiro[5.5]undecan-3-yl]acetic acid IUPAC Name: 2-[9-[(4-carbamimidoylphenyl)methyl]-4-oxo-5-oxa-9-azaspiro[5.5]undecan-3-yl]acetic acid Traditional Name: 2-[9-(4-amidinobenzyl)-4-keto-5-oxa-9-azaspiro[5.5]undecan-3-yl]acetic acid Formula: C19H25N3O4 MolecularWeight: 359.4195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCN(CC2)CC3=CC=C(C=C3)C(=N)N)OC(=O)C1CC(=O)O

Isomeric SMILES

C1CC2(CCN(CC2)CC3=CC=C(C=C3)C(=N)N)OC(=O)C1CC(=O)O

InChI

InChI=1S/C19H25N3O4/c20-17(21)14-3-1-13(2-4-14)12-22-9-7-19(8-10-22)6-5-15(11-16(23)24)18(25)26-19/h1-4,15H,5-12H2,(H3,20,21)(H,23,24)