2-[5-carbamimidoyl-2-(2-pyrrolidin-1-ylethoxy)phenoxy]ethyl 4-(C-pyrrolidin-1-ylcarbonimidoyl)benzoate

Systemtic Name: 2-[5-carbamimidoyl-2-(2-pyrrolidin-1-ylethoxy)phenoxy]ethyl 4-(C-pyrrolidin-1-ylcarbonimidoyl)benzoate Openeye Name: 2-[5-carbamimidoyl-2-(2-pyrrolidin-1-ylethoxy)phenoxy]ethyl 4-(pyrrolidine-1-carboximidoyl)benzoate CAS Name: 4-[imino(1-pyrrolidinyl)methyl]benzoic acid 2-[5-carbamimidoyl-2-[2-(1-pyrrolidinyl)ethoxy]phenoxy]ethyl ester IUPAC Name: 2-[5-carbamimidoyl-2-(2-pyrrolidin-1-ylethoxy)phenoxy]ethyl 4-(pyrrolidine-1-carboximidoyl)benzoate Traditional Name: 4-(pyrrolidine-1-carboximidoyl)benzoic acid 2-[5-amidino-2-(2-pyrrolidinoethoxy)phenoxy]ethyl ester Formula: C27H35N5O4 MolecularWeight: 493.5979

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=C(C=C(C=C2)C(=N)N)OCCOC(=O)C3=CC=C(C=C3)C(=N)N4CCCC4

Isomeric SMILES

C1CCN(C1)CCOC2=C(C=C(C=C2)C(=N)N)OCCOC(=O)C3=CC=C(C=C3)C(=N)N4CCCC4

InChI

InChI=1S/C27H35N5O4/c28-25(29)22-9-10-23(34-16-15-31-11-1-2-12-31)24(19-22)35-17-18-36-27(33)21-7-5-20(6-8-21)26(30)32-13-3-4-14-32/h5-10,19,30H,1-4,11-18H2,(H3,28,29)