2-(3-carbamimidoylphenoxy)ethyl 4-(C-pyrrolidin-1-ylcarbonimidoyl)benzoate

Systemtic Name: 2-(3-carbamimidoylphenoxy)ethyl 4-(C-pyrrolidin-1-ylcarbonimidoyl)benzoate Openeye Name: 2-(3-carbamimidoylphenoxy)ethyl 4-(pyrrolidine-1-carboximidoyl)benzoate CAS Name: 4-[imino(1-pyrrolidinyl)methyl]benzoic acid 2-(3-carbamimidoylphenoxy)ethyl ester IUPAC Name: 2-(3-carbamimidoylphenoxy)ethyl 4-(pyrrolidine-1-carboximidoyl)benzoate Traditional Name: 4-(pyrrolidine-1-carboximidoyl)benzoic acid 2-(3-amidinophenoxy)ethyl ester Formula: C21H24N4O3 MolecularWeight: 380.44026

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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)C(=N)N

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3/c22-19(23)17-4-3-5-18(14-17)27-12-13-28-21(26)16-8-6-15(7-9-16)20(24)25-10-1-2-11-25/h3-9,14,24H,1-2,10-13H2,(H3,22,23)