[4-(3-oxidanylidene-3-piperazin-1-yloxy-propanoyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-(3-oxidanylidene-3-piperazin-1-yloxy-propanoyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(3-oxo-3-piperazin-1-yloxy-propanoyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-[1,3-dioxo-3-(1-piperazinyloxy)propyl]phenyl] ester IUPAC Name: [4-(3-oxo-3-piperazin-1-yloxypropanoyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(3-keto-3-piperazinooxy-propanoyl)phenyl] ester Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)OC(=O)CC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

Isomeric SMILES

C1CN(CCN1)OC(=O)CC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

InChI

InChI=1S/C21H23N5O5/c22-21(23)25-16-5-1-15(2-6-16)20(29)30-17-7-3-14(4-8-17)18(27)13-19(28)31-26-11-9-24-10-12-26/h1-8,24H,9-13H2,(H4,22,23,25)