2-[5-carbamimidoyl-2-(cyanomethoxy)phenoxy]ethyl 4-(C-pyrrolidin-1-ylcarbonimidoyl)benzoate

Systemtic Name: 2-[5-carbamimidoyl-2-(cyanomethoxy)phenoxy]ethyl 4-(C-pyrrolidin-1-ylcarbonimidoyl)benzoate Openeye Name: 2-[5-carbamimidoyl-2-(cyanomethoxy)phenoxy]ethyl 4-(pyrrolidine-1-carboximidoyl)benzoate CAS Name: 4-[imino(1-pyrrolidinyl)methyl]benzoic acid 2-[5-carbamimidoyl-2-(cyanomethoxy)phenoxy]ethyl ester IUPAC Name: 2-[5-carbamimidoyl-2-(cyanomethoxy)phenoxy]ethyl 4-(pyrrolidine-1-carboximidoyl)benzoate Traditional Name: 4-(pyrrolidine-1-carboximidoyl)benzoic acid 2-[5-amidino-2-(cyanomethoxy)phenoxy]ethyl ester Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=N)C2=CC=C(C=C2)C(=O)OCCOC3=C(C=CC(=C3)C(=N)N)OCC#N

Isomeric SMILES

C1CCN(C1)C(=N)C2=CC=C(C=C2)C(=O)OCCOC3=C(C=CC(=C3)C(=N)N)OCC#N

InChI

InChI=1S/C23H25N5O4/c24-9-12-30-19-8-7-18(21(25)26)15-20(19)31-13-14-32-23(29)17-5-3-16(4-6-17)22(27)28-10-1-2-11-28/h3-8,15,27H,1-2,10-14H2,(H3,25,26)