methyl 5-[4-(5-carbamimidoylpyridin-3-yl)phenoxy]pentanoate

Systemtic Name: methyl 5-[4-(5-carbamimidoylpyridin-3-yl)phenoxy]pentanoate Openeye Name: methyl 5-[4-(5-carbamimidoyl-3-pyridyl)phenoxy]pentanoate CAS Name: 5-[4-(5-carbamimidoyl-3-pyridinyl)phenoxy]pentanoic acid methyl ester IUPAC Name: methyl 5-[4-(5-carbamimidoylpyridin-3-yl)phenoxy]pentanoate Traditional Name: 5-[4-(5-amidino-3-pyridyl)phenoxy]valeric acid methyl ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCOC1=CC=C(C=C1)C2=CC(=CN=C2)C(=N)N

Isomeric SMILES

COC(=O)CCCCOC1=CC=C(C=C1)C2=CC(=CN=C2)C(=N)N

InChI

InChI=1S/C18H21N3O3/c1-23-17(22)4-2-3-9-24-16-7-5-13(6-8-16)14-10-15(18(19)20)12-21-11-14/h5-8,10-12H,2-4,9H2,1H3,(H3,19,20)