(3-carbamimidoylphenyl) 4-azanyl-2-[2-[bis(azanyl)methylideneamino]phenyl]-2-ethyl-butanoate

Systemtic Name: (3-carbamimidoylphenyl) 4-azanyl-2-[2-[bis(azanyl)methylideneamino]phenyl]-2-ethyl-butanoate Openeye Name: (3-carbamimidoylphenyl) 4-amino-2-ethyl-2-(2-guanidinophenyl)butanoate CAS Name: 4-amino-2-[2-(diaminomethylideneamino)phenyl]-2-ethylbutanoic acid (3-carbamimidoylphenyl) ester IUPAC Name: (3-carbamimidoylphenyl) 4-amino-2-[2-(diaminomethylideneamino)phenyl]-2-ethylbutanoate Traditional Name: 4-amino-2-ethyl-2-(2-guanidinophenyl)butyric acid (3-amidinophenyl) ester Formula: C20H26N6O2 MolecularWeight: 382.45944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCN)(C1=CC=CC=C1N=C(N)N)C(=O)OC2=CC=CC(=C2)C(=N)N

Isomeric SMILES

CCC(CCN)(C1=CC=CC=C1N=C(N)N)C(=O)OC2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C20H26N6O2/c1-2-20(10-11-21,15-8-3-4-9-16(15)26-19(24)25)18(27)28-14-7-5-6-13(12-14)17(22)23/h3-9,12H,2,10-11,21H2,1H3,(H3,22,23)(H4,24,25,26)