2-[4-(4-carbamimidoylphenyl)carbonyl-4-azaspiro[5.5]undecan-9-yl]ethanoic acid

Systemtic Name: 2-[4-(4-carbamimidoylphenyl)carbonyl-4-azaspiro[5.5]undecan-9-yl]ethanoic acid Openeye Name: 2-[4-(4-carbamimidoylbenzoyl)-4-azaspiro[5.5]undecan-9-yl]acetic acid CAS Name: 2-[4-[(4-carbamimidoylphenyl)-oxomethyl]-4-azaspiro[5.5]undecan-9-yl]acetic acid IUPAC Name: 2-[4-(4-carbamimidoylbenzoyl)-4-azaspiro[5.5]undecan-9-yl]acetic acid Traditional Name: 2-[4-(4-amidinobenzoyl)-4-azaspiro[5.5]undecan-9-yl]acetic acid Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC(CC2)CC(=O)O)CN(C1)C(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CC2(CCC(CC2)CC(=O)O)CN(C1)C(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H27N3O3/c21-18(22)15-2-4-16(5-3-15)19(26)23-11-1-8-20(13-23)9-6-14(7-10-20)12-17(24)25/h2-5,14H,1,6-13H2,(H3,21,22)(H,24,25)