octadecyl 2-[dodecylcarbamoyl(methyl)amino]-3-phenyl-propanoate

Systemtic Name: octadecyl 2-[dodecylcarbamoyl(methyl)amino]-3-phenyl-propanoate Openeye Name: octadecyl 2-[dodecylcarbamoyl(methyl)amino]-3-phenyl-propanoate CAS Name: 2-[[(dodecylamino)-oxomethyl]-methylamino]-3-phenylpropanoic acid octadecyl ester IUPAC Name: octadecyl 2-[dodecylcarbamoyl(methyl)amino]-3-phenylpropanoate Traditional Name: 2-[laurylcarbamoyl(methyl)amino]-3-phenyl-propionic acid stearyl ester Formula: C41H74N2O3 MolecularWeight: 643.03786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CC1=CC=CC=C1)N(C)C(=O)NCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CC1=CC=CC=C1)N(C)C(=O)NCCCCCCCCCCCC

InChI

InChI=1S/C41H74N2O3/c1-4-6-8-10-12-14-16-17-18-19-20-21-23-25-27-32-36-46-40(44)39(37-38-33-29-28-30-34-38)43(3)41(45)42-35-31-26-24-22-15-13-11-9-7-5-2/h28-30,33-34,39H,4-27,31-32,35-37H2,1-3H3,(H,42,45)