ethyl 2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanyl-butanoyl]phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanyl-butanoyl]phenoxy]ethanoate Openeye Name: ethyl 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]-3-hydroxy-butanoyl]phenoxy]acetate CAS Name: 2-[4-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3-hydroxy-1-oxobutyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]-3-hydroxybutanoyl]phenoxy]acetate Traditional Name: 2-[4-[2-[(4-amidinobenzoyl)amino]-3-hydroxy-butanoyl]phenoxy]acetic acid ethyl ester Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=C(C=C1)C(=O)C(C(C)O)NC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)COC1=CC=C(C=C1)C(=O)C(C(C)O)NC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C22H25N3O6/c1-3-30-18(27)12-31-17-10-8-14(9-11-17)20(28)19(13(2)26)25-22(29)16-6-4-15(5-7-16)21(23)24/h4-11,13,19,26H,3,12H2,1-2H3,(H3,23,24)(H,25,29)