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

Systemtic Name: ethyl 2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanyl-propanoyl]phenoxy]ethanoate Openeye Name: ethyl 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]-3-hydroxy-propanoyl]phenoxy]acetate CAS Name: 2-[4-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3-hydroxy-1-oxopropyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]-3-hydroxypropanoyl]phenoxy]acetate Traditional Name: 2-[4-[2-[(4-amidinobenzoyl)amino]-3-hydroxy-propanoyl]phenoxy]acetic acid ethyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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