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

Systemtic Name: methyl 2-[4-[1-acetyloxy-2-[(4-carbamimidoylphenyl)carbonylamino]ethyl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[1-acetoxy-2-[(4-carbamimidoylbenzoyl)amino]ethyl]phenoxy]acetate CAS Name: 2-[4-[1-acetyloxy-2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]ethyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[1-acetyloxy-2-[(4-carbamimidoylbenzoyl)amino]ethyl]phenoxy]acetate Traditional Name: 2-[4-[1-acetoxy-2-[(4-amidinobenzoyl)amino]ethyl]phenoxy]acetic acid methyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CNC(=O)C1=CC=C(C=C1)C(=N)N)C2=CC=C(C=C2)OCC(=O)OC

Isomeric SMILES

CC(=O)OC(CNC(=O)C1=CC=C(C=C1)C(=N)N)C2=CC=C(C=C2)OCC(=O)OC

InChI

InChI=1S/C21H23N3O6/c1-13(25)30-18(14-7-9-17(10-8-14)29-12-19(26)28-2)11-24-21(27)16-5-3-15(4-6-16)20(22)23/h3-10,18H,11-12H2,1-2H3,(H3,22,23)(H,24,27)