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

Systemtic Name: 2-[2-(2-acetamidoethoxy)-5-carbamimidoyl-phenoxy]ethyl 4-(C-pyrrolidin-1-ylcarbonimidoyl)benzoate Openeye Name: 2-[2-(2-acetamidoethoxy)-5-carbamimidoyl-phenoxy]ethyl 4-(pyrrolidine-1-carboximidoyl)benzoate CAS Name: 4-[imino(1-pyrrolidinyl)methyl]benzoic acid 2-[2-(2-acetamidoethoxy)-5-carbamimidoylphenoxy]ethyl ester IUPAC Name: 2-[2-(2-acetamidoethoxy)-5-carbamimidoylphenoxy]ethyl 4-(pyrrolidine-1-carboximidoyl)benzoate Traditional Name: 4-(pyrrolidine-1-carboximidoyl)benzoic acid 2-[2-(2-acetamidoethoxy)-5-amidino-phenoxy]ethyl ester Formula: C25H31N5O5 MolecularWeight: 481.54414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCOC1=C(C=C(C=C1)C(=N)N)OCCOC(=O)C2=CC=C(C=C2)C(=N)N3CCCC3

Isomeric SMILES

CC(=O)NCCOC1=C(C=C(C=C1)C(=N)N)OCCOC(=O)C2=CC=C(C=C2)C(=N)N3CCCC3

InChI

InChI=1S/C25H31N5O5/c1-17(31)29-10-13-33-21-9-8-20(23(26)27)16-22(21)34-14-15-35-25(32)19-6-4-18(5-7-19)24(28)30-11-2-3-12-30/h4-9,16,28H,2-3,10-15H2,1H3,(H3,26,27)(H,29,31)