[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)carbonylphenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)carbonylphenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(2-oxo-2-pyrrolidin-1-yl-ethoxy)carbonylphenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-[oxo-[2-oxo-2-(1-pyrrolidinyl)ethoxy]methyl]phenyl] ester IUPAC Name: [4-(2-oxo-2-pyrrolidin-1-ylethoxy)carbonylphenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(2-keto-2-pyrrolidino-ethoxy)carbonylphenyl] ester Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

Isomeric SMILES

C1CCN(C1)C(=O)COC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

InChI

InChI=1S/C21H22N4O5/c22-21(23)24-16-7-3-15(4-8-16)20(28)30-17-9-5-14(6-10-17)19(27)29-13-18(26)25-11-1-2-12-25/h3-10H,1-2,11-13H2,(H4,22,23,24)