[4-(3-imidazol-1-ylpropoxy)phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-(3-imidazol-1-ylpropoxy)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(3-imidazol-1-ylpropoxy)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-[3-(1-imidazolyl)propoxy]phenyl] ester IUPAC Name: [4-(3-imidazol-1-ylpropoxy)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(3-imidazol-1-ylpropoxy)phenyl] ester Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)OCCCN3C=CN=C3)N=C(N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)OCCCN3C=CN=C3)N=C(N)N

InChI

InChI=1S/C20H21N5O3/c21-20(22)24-16-4-2-15(3-5-16)19(26)28-18-8-6-17(7-9-18)27-13-1-11-25-12-10-23-14-25/h2-10,12,14H,1,11,13H2,(H4,21,22,24)