[4-(3-morpholin-4-yl-3-oxidanylidene-propyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-(3-morpholin-4-yl-3-oxidanylidene-propyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(3-morpholino-3-oxo-propyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-[3-(4-morpholinyl)-3-oxopropyl]phenyl] ester IUPAC Name: [4-(3-morpholin-4-yl-3-oxopropyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(3-keto-3-morpholino-propyl)phenyl] ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CCC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

Isomeric SMILES

C1COCCN1C(=O)CCC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

InChI

InChI=1S/C21H24N4O4/c22-21(23)24-17-6-4-16(5-7-17)20(27)29-18-8-1-15(2-9-18)3-10-19(26)25-11-13-28-14-12-25/h1-2,4-9H,3,10-14H2,(H4,22,23,24)