bis(phenylmethyl) 2-[2-[bis(azanyl)methylideneamino]ethyl]propanedioate

Systemtic Name: bis(phenylmethyl) 2-[2-[bis(azanyl)methylideneamino]ethyl]propanedioate Openeye Name: dibenzyl 2-(2-guanidinoethyl)propanedioate CAS Name: 2-[2-(diaminomethylideneamino)ethyl]propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[2-(diaminomethylideneamino)ethyl]propanedioate Traditional Name: 2-(2-guanidinoethyl)malonic acid dibenzyl ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCN=C(N)N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CCN=C(N)N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H23N3O4/c21-20(22)23-12-11-17(18(24)26-13-15-7-3-1-4-8-15)19(25)27-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H4,21,22,23)