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

Systemtic Name: [4-(dipropylcarbamoyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(dipropylcarbamoyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-[(dipropylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(dipropylcarbamoyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(dipropylcarbamoyl)phenyl] ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-3-13-25(14-4-2)19(26)15-7-11-18(12-8-15)28-20(27)16-5-9-17(10-6-16)24-21(22)23/h5-12H,3-4,13-14H2,1-2H3,(H4,22,23,24)