2-[bis[2-(octadecanoylamino)ethyl]carbamoyl]benzoic acid

Systemtic Name: 2-[bis[2-(octadecanoylamino)ethyl]carbamoyl]benzoic acid Openeye Name: 2-[bis[2-(octadecanoylamino)ethyl]carbamoyl]benzoic acid CAS Name: 2-[[bis[2-(1-oxooctadecylamino)ethyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[bis[2-(octadecanoylamino)ethyl]carbamoyl]benzoic acid Traditional Name: 2-[bis(2-stearamidoethyl)carbamoyl]benzoic acid Formula: C48H85N3O5 MolecularWeight: 784.2056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)C(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)C(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C48H85N3O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-45(52)49-39-41-51(47(54)43-35-33-34-36-44(43)48(55)56)42-40-50-46(53)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-36H,3-32,37-42H2,1-2H3,(H,49,52)(H,50,53)(H,55,56)