2-(5-carbamimidoyl-2-ethoxy-phenoxy)ethyl 4-(C-pyrrolidin-1-ylcarbonimidoyl)benzoate

Systemtic Name: 2-(5-carbamimidoyl-2-ethoxy-phenoxy)ethyl 4-(C-pyrrolidin-1-ylcarbonimidoyl)benzoate Openeye Name: 2-(5-carbamimidoyl-2-ethoxy-phenoxy)ethyl 4-(pyrrolidine-1-carboximidoyl)benzoate CAS Name: 4-[imino(1-pyrrolidinyl)methyl]benzoic acid 2-(5-carbamimidoyl-2-ethoxyphenoxy)ethyl ester IUPAC Name: 2-(5-carbamimidoyl-2-ethoxyphenoxy)ethyl 4-(pyrrolidine-1-carboximidoyl)benzoate Traditional Name: 4-(pyrrolidine-1-carboximidoyl)benzoic acid 2-(5-amidino-2-ethoxy-phenoxy)ethyl ester Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=N)N)OCCOC(=O)C2=CC=C(C=C2)C(=N)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=N)N)OCCOC(=O)C2=CC=C(C=C2)C(=N)N3CCCC3

InChI

InChI=1S/C23H28N4O4/c1-2-29-19-10-9-18(21(24)25)15-20(19)30-13-14-31-23(28)17-7-5-16(6-8-17)22(26)27-11-3-4-12-27/h5-10,15,26H,2-4,11-14H2,1H3,(H3,24,25)