[4-(butan-2-ylcarbamoyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-(butan-2-ylcarbamoyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(sec-butylcarbamoyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-[(butan-2-ylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(butan-2-ylcarbamoyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(sec-butylcarbamoyl)phenyl] ester Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

CCC(C)NC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

InChI

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