tert-butyl 2,3-bis(azanyl)-4-octadecyl-benzoate

Systemtic Name: tert-butyl 2,3-bis(azanyl)-4-octadecyl-benzoate Openeye Name: tert-butyl 2,3-diamino-4-octadecyl-benzoate CAS Name: 2,3-diamino-4-octadecylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 2,3-diamino-4-octadecylbenzoate Traditional Name: 2,3-diamino-4-stearyl-benzoic acid tert-butyl ester Formula: C29H52N2O2 MolecularWeight: 460.73538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C=C1)C(=O)OC(C)(C)C)N)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C=C1)C(=O)OC(C)(C)C)N)N

InChI

InChI=1S/C29H52N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22-23-25(27(31)26(24)30)28(32)33-29(2,3)4/h22-23H,5-21,30-31H2,1-4H3