octadecyl 3,5-bis(azanyl)-4-(2-methylbutan-2-yl)benzoate

Systemtic Name: octadecyl 3,5-bis(azanyl)-4-(2-methylbutan-2-yl)benzoate Openeye Name: octadecyl 3,5-diamino-4-(1,1-dimethylpropyl)benzoate CAS Name: 3,5-diamino-4-(2-methylbutan-2-yl)benzoic acid octadecyl ester IUPAC Name: octadecyl 3,5-diamino-4-(2-methylbutan-2-yl)benzoate Traditional Name: 3,5-diamino-4-tert-amyl-benzoic acid stearyl ester Formula: C30H54N2O2 MolecularWeight: 474.76196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)N)C(C)(C)CC)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)N)C(C)(C)CC)N

InChI

InChI=1S/C30H54N2O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-29(33)25-23-26(31)28(27(32)24-25)30(3,4)6-2/h23-24H,5-22,31-32H2,1-4H3