[4-azanyl-2-(dioctadecylcarbamoyl)naphthalen-1-yl] benzoate

Systemtic Name: [4-azanyl-2-(dioctadecylcarbamoyl)naphthalen-1-yl] benzoate Openeye Name: [4-amino-2-(dioctadecylcarbamoyl)-1-naphthyl] benzoate CAS Name: benzoic acid [4-amino-2-[(dioctadecylamino)-oxomethyl]-1-naphthalenyl] ester IUPAC Name: [4-amino-2-(dioctadecylcarbamoyl)naphthalen-1-yl] benzoate Traditional Name: benzoic acid [4-amino-2-(distearylcarbamoyl)-1-naphthyl] ester Formula: C54H86N2O3 MolecularWeight: 811.27224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C1=C(C2=CC=CC=C2C(=C1)N)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C1=C(C2=CC=CC=C2C(=C1)N)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C54H86N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38-44-56(45-39-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)53(57)50-46-51(55)48-42-36-37-43-49(48)52(50)59-54(58)47-40-34-33-35-41-47/h33-37,40-43,46H,3-32,38-39,44-45,55H2,1-2H3