[4-(2-morpholin-4-ylethylcarbamoyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-(2-morpholin-4-ylethylcarbamoyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(2-morpholinoethylcarbamoyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-[[2-(4-morpholinyl)ethylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-(2-morpholin-4-ylethylcarbamoyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(2-morpholinoethylcarbamoyl)phenyl] ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

Isomeric SMILES

C1COCCN1CCNC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

InChI

InChI=1S/C21H25N5O4/c22-21(23)25-17-5-1-16(2-6-17)20(28)30-18-7-3-15(4-8-18)19(27)24-9-10-26-11-13-29-14-12-26/h1-8H,9-14H2,(H,24,27)(H4,22,23,25)