2-[1-[4-(4-carbamimidoylphenyl)-4-oxidanylidene-butanoyl]piperidin-4-yl]oxybutanoic acid

Systemtic Name: 2-[1-[4-(4-carbamimidoylphenyl)-4-oxidanylidene-butanoyl]piperidin-4-yl]oxybutanoic acid Openeye Name: 2-[[1-[4-(4-carbamimidoylphenyl)-4-oxo-butanoyl]-4-piperidyl]oxy]butanoic acid CAS Name: 2-[[1-[4-(4-carbamimidoylphenyl)-1,4-dioxobutyl]-4-piperidinyl]oxy]butanoic acid IUPAC Name: 2-[1-[4-(4-carbamimidoylphenyl)-4-oxobutanoyl]piperidin-4-yl]oxybutanoic acid Traditional Name: 2-[[1-[4-(4-amidinophenyl)-4-keto-butanoyl]-4-piperidyl]oxy]butyric acid Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1CCN(CC1)C(=O)CCC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCC(C(=O)O)OC1CCN(CC1)C(=O)CCC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C20H27N3O5/c1-2-17(20(26)27)28-15-9-11-23(12-10-15)18(25)8-7-16(24)13-3-5-14(6-4-13)19(21)22/h3-6,15,17H,2,7-12H2,1H3,(H3,21,22)(H,26,27)