[4-(dibutylcarbamoyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-(dibutylcarbamoyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(dibutylcarbamoyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-[(dibutylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(dibutylcarbamoyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(dibutylcarbamoyl)phenyl] ester Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

CCCCN(CCCC)C(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C23H30N4O3/c1-3-5-15-27(16-6-4-2)21(28)17-9-13-20(14-10-17)30-22(29)18-7-11-19(12-8-18)26-23(24)25/h7-14H,3-6,15-16H2,1-2H3,(H4,24,25,26)