2-(3-carbamimidoylphenoxy)ethyl 6-(C-pyrrolidin-1-ylcarbonimidoyl)pyridine-3-carboxylate

Systemtic Name: 2-(3-carbamimidoylphenoxy)ethyl 6-(C-pyrrolidin-1-ylcarbonimidoyl)pyridine-3-carboxylate Openeye Name: 2-(3-carbamimidoylphenoxy)ethyl 6-(pyrrolidine-1-carboximidoyl)pyridine-3-carboxylate CAS Name: 6-[imino(1-pyrrolidinyl)methyl]-3-pyridinecarboxylic acid 2-(3-carbamimidoylphenoxy)ethyl ester IUPAC Name: 2-(3-carbamimidoylphenoxy)ethyl 6-(pyrrolidine-1-carboximidoyl)pyridine-3-carboxylate Traditional Name: 6-(pyrrolidine-1-carboximidoyl)nicotinic acid 2-(3-amidinophenoxy)ethyl ester Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O3/c21-18(22)14-4-3-5-16(12-14)27-10-11-28-20(26)15-6-7-17(24-13-15)19(23)25-8-1-2-9-25/h3-7,12-13,23H,1-2,8-11H2,(H3,21,22)