2-(3-carbamimidoyl-5-oxidanyl-phenoxy)ethyl 4-(C-pyrrolidin-1-ylcarbonimidoyl)benzoate

Systemtic Name: 2-(3-carbamimidoyl-5-oxidanyl-phenoxy)ethyl 4-(C-pyrrolidin-1-ylcarbonimidoyl)benzoate Openeye Name: 2-(3-carbamimidoyl-5-hydroxy-phenoxy)ethyl 4-(pyrrolidine-1-carboximidoyl)benzoate CAS Name: 4-[imino(1-pyrrolidinyl)methyl]benzoic acid 2-(3-carbamimidoyl-5-hydroxyphenoxy)ethyl ester IUPAC Name: 2-(3-carbamimidoyl-5-hydroxyphenoxy)ethyl 4-(pyrrolidine-1-carboximidoyl)benzoate Traditional Name: 4-(pyrrolidine-1-carboximidoyl)benzoic acid 2-(3-amidino-5-hydroxy-phenoxy)ethyl ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c22-19(23)16-11-17(26)13-18(12-16)28-9-10-29-21(27)15-5-3-14(4-6-15)20(24)25-7-1-2-8-25/h3-6,11-13,24,26H,1-2,7-10H2,(H3,22,23)