[2-[3-(octadecylamino)-3-oxidanylidene-propyl]phenyl] 3-(dimethylamino)propanoate

Systemtic Name: [2-[3-(octadecylamino)-3-oxidanylidene-propyl]phenyl] 3-(dimethylamino)propanoate Openeye Name: [2-[3-(octadecylamino)-3-oxo-propyl]phenyl] 3-(dimethylamino)propanoate CAS Name: 3-(dimethylamino)propanoic acid [2-[3-(octadecylamino)-3-oxopropyl]phenyl] ester IUPAC Name: [2-[3-(octadecylamino)-3-oxopropyl]phenyl] 3-(dimethylamino)propanoate Traditional Name: 3-(dimethylamino)propionic acid [2-[3-keto-3-(stearylamino)propyl]phenyl] ester Formula: C32H56N2O3 MolecularWeight: 516.79864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)CCC1=CC=CC=C1OC(=O)CCN(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)CCC1=CC=CC=C1OC(=O)CCN(C)C

InChI

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