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

Systemtic Name: 2-(5-carbamimidoyl-2-propoxy-phenoxy)ethyl 4-(C-pyrrolidin-1-ylcarbonimidoyl)benzoate Openeye Name: 2-(5-carbamimidoyl-2-propoxy-phenoxy)ethyl 4-(pyrrolidine-1-carboximidoyl)benzoate CAS Name: 4-[imino(1-pyrrolidinyl)methyl]benzoic acid 2-(5-carbamimidoyl-2-propoxyphenoxy)ethyl ester IUPAC Name: 2-(5-carbamimidoyl-2-propoxyphenoxy)ethyl 4-(pyrrolidine-1-carboximidoyl)benzoate Traditional Name: 4-(pyrrolidine-1-carboximidoyl)benzoic acid 2-(5-amidino-2-propoxy-phenoxy)ethyl ester Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=N)N)OCCOC(=O)C2=CC=C(C=C2)C(=N)N3CCCC3

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=N)N)OCCOC(=O)C2=CC=C(C=C2)C(=N)N3CCCC3

InChI

InChI=1S/C24H30N4O4/c1-2-13-30-20-10-9-19(22(25)26)16-21(20)31-14-15-32-24(29)18-7-5-17(6-8-18)23(27)28-11-3-4-12-28/h5-10,16,27H,2-4,11-15H2,1H3,(H3,25,26)