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

Systemtic Name: [4-(butylcarbamoyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(butylcarbamoyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-[butylamino(oxo)methyl]phenyl] ester IUPAC Name: [4-(butylcarbamoyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(butylcarbamoyl)phenyl] ester Formula: C19H22N4O3 MolecularWeight: 354.40298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

CCCCNC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C19H22N4O3/c1-2-3-12-22-17(24)13-6-10-16(11-7-13)26-18(25)14-4-8-15(9-5-14)23-19(20)21/h4-11H,2-3,12H2,1H3,(H,22,24)(H4,20,21,23)