methyl 2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]-1-oxidanyl-ethyl]phenoxy]ethanoate hydrochloride

Systemtic Name: methyl 2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]-1-oxidanyl-ethyl]phenoxy]ethanoate hydrochloride Openeye Name: methyl 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]-1-hydroxy-ethyl]phenoxy]acetate hydrochloride CAS Name: 2-[4-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-hydroxyethyl]phenoxy]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]-1-hydroxyethyl]phenoxy]acetate hydrochloride Traditional Name: 2-[4-[2-[(4-amidinobenzoyl)amino]-1-hydroxy-ethyl]phenoxy]acetic acid methyl ester hydrochloride Formula: C19H22ClN3O5 MolecularWeight: 407.84808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)C(=N)N)O.Cl

Isomeric SMILES

COC(=O)COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)C(=N)N)O.Cl

InChI

InChI=1S/C19H21N3O5.ClH/c1-26-17(24)11-27-15-8-6-12(7-9-15)16(23)10-22-19(25)14-4-2-13(3-5-14)18(20)21;/h2-9,16,23H,10-11H2,1H3,(H3,20,21)(H,22,25);1H