[2-[3-(octadecylamino)-3-oxidanylidene-propyl]phenyl] 4-methylpiperazine-1-carboxylate

Systemtic Name: [2-[3-(octadecylamino)-3-oxidanylidene-propyl]phenyl] 4-methylpiperazine-1-carboxylate Openeye Name: [2-[3-(octadecylamino)-3-oxo-propyl]phenyl] 4-methylpiperazine-1-carboxylate CAS Name: 4-methyl-1-piperazinecarboxylic acid [2-[3-(octadecylamino)-3-oxopropyl]phenyl] ester IUPAC Name: [2-[3-(octadecylamino)-3-oxopropyl]phenyl] 4-methylpiperazine-1-carboxylate Traditional Name: 4-methylpiperazine-1-carboxylic acid [2-[3-keto-3-(stearylamino)propyl]phenyl] ester Formula: C33H57N3O3 MolecularWeight: 543.82398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)CCC1=CC=CC=C1OC(=O)N2CCN(CC2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)CCC1=CC=CC=C1OC(=O)N2CCN(CC2)C

InChI

InChI=1S/C33H57N3O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-34-32(37)24-23-30-21-18-19-22-31(30)39-33(38)36-28-26-35(2)27-29-36/h18-19,21-22H,3-17,20,23-29H2,1-2H3,(H,34,37)