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

Systemtic Name: ethyl 2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]propanoyl]phenoxy]-2-methoxy-ethanoate Openeye Name: ethyl 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]propanoyl]phenoxy]-2-methoxy-acetate CAS Name: 2-[4-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxopropyl]phenoxy]-2-methoxyacetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]propanoyl]phenoxy]-2-methoxyacetate Traditional Name: 2-[4-[2-[(4-amidinobenzoyl)amino]propanoyl]phenoxy]-2-methoxy-acetic acid ethyl ester Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(OC)OC1=CC=C(C=C1)C(=O)C(C)NC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)C(OC)OC1=CC=C(C=C1)C(=O)C(C)NC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C22H25N3O6/c1-4-30-21(28)22(29-3)31-17-11-9-14(10-12-17)18(26)13(2)25-20(27)16-7-5-15(6-8-16)19(23)24/h5-13,22H,4H2,1-3H3,(H3,23,24)(H,25,27)