phenyl 2-[dimethylamino-(octadecylamino)methyl]-5-oxidanylidene-pentanoate

Systemtic Name: phenyl 2-[dimethylamino-(octadecylamino)methyl]-5-oxidanylidene-pentanoate Openeye Name: phenyl 2-[dimethylamino-(octadecylamino)methyl]-5-oxo-pentanoate CAS Name: 2-[dimethylamino-(octadecylamino)methyl]-5-oxopentanoic acid phenyl ester IUPAC Name: phenyl 2-[dimethylamino-(octadecylamino)methyl]-5-oxopentanoate Traditional Name: 2-[dimethylamino-(stearylamino)methyl]-5-keto-valeric acid phenyl ester Formula: C32H56N2O3 MolecularWeight: 516.79864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(C(CCC=O)C(=O)OC1=CC=CC=C1)N(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(C(CCC=O)C(=O)OC1=CC=CC=C1)N(C)C

InChI

InChI=1S/C32H56N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27-33-31(34(2)3)30(26-23-28-35)32(36)37-29-24-20-19-21-25-29/h19-21,24-25,28,30-31,33H,4-18,22-23,26-27H2,1-3H3