ditert-butyl 2-[3-(aminomethyl)phenyl]-2-[bis(azanyl)methylideneamino]propanedioate

Systemtic Name: ditert-butyl 2-[3-(aminomethyl)phenyl]-2-[bis(azanyl)methylideneamino]propanedioate Openeye Name: ditert-butyl 2-[3-(aminomethyl)phenyl]-2-guanidino-propanedioate CAS Name: 2-[3-(aminomethyl)phenyl]-2-(diaminomethylideneamino)propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[3-(aminomethyl)phenyl]-2-(diaminomethylideneamino)propanedioate Traditional Name: 2-[3-(aminomethyl)phenyl]-2-guanidino-malonic acid ditert-butyl ester Formula: C19H30N4O4 MolecularWeight: 378.4659

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=CC=CC(=C1)CN)(C(=O)OC(C)(C)C)N=C(N)N

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=CC=CC(=C1)CN)(C(=O)OC(C)(C)C)N=C(N)N

InChI

InChI=1S/C19H30N4O4/c1-17(2,3)26-14(24)19(23-16(21)22,15(25)27-18(4,5)6)13-9-7-8-12(10-13)11-20/h7-10H,11,20H2,1-6H3,(H4,21,22,23)