3-[9-(4-carbamimidoylphenyl)carbonyl-9-azaspiro[5.5]undecan-3-yl]propanoic acid

Systemtic Name: 3-[9-(4-carbamimidoylphenyl)carbonyl-9-azaspiro[5.5]undecan-3-yl]propanoic acid Openeye Name: 3-[9-(4-carbamimidoylbenzoyl)-9-azaspiro[5.5]undecan-3-yl]propanoic acid CAS Name: 3-[9-[(4-carbamimidoylphenyl)-oxomethyl]-9-azaspiro[5.5]undecan-3-yl]propanoic acid IUPAC Name: 3-[9-(4-carbamimidoylbenzoyl)-9-azaspiro[5.5]undecan-3-yl]propanoic acid Traditional Name: 3-[9-(4-amidinobenzoyl)-9-azaspiro[5.5]undecan-3-yl]propionic acid Formula: C21H29N3O3 MolecularWeight: 371.47326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1CCC(=O)O)CCN(CC2)C(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CC2(CCC1CCC(=O)O)CCN(CC2)C(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H29N3O3/c22-19(23)16-2-4-17(5-3-16)20(27)24-13-11-21(12-14-24)9-7-15(8-10-21)1-6-18(25)26/h2-5,15H,1,6-14H2,(H3,22,23)(H,25,26)