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

Systemtic Name: octadecyl 3,5-bis(azanyl)-4-(2-methylpentan-2-yl)benzoate Openeye Name: octadecyl 3,5-diamino-4-(1,1-dimethylbutyl)benzoate CAS Name: 3,5-diamino-4-(2-methylpentan-2-yl)benzoic acid octadecyl ester IUPAC Name: octadecyl 3,5-diamino-4-(2-methylpentan-2-yl)benzoate Traditional Name: 3,5-diamino-4-(1,1-dimethylbutyl)benzoic acid stearyl ester Formula: C31H56N2O2 MolecularWeight: 488.78854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H56N2O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-35-30(34)26-24-27(32)29(28(33)25-26)31(3,4)22-6-2/h24-25H,5-23,32-33H2,1-4H3