[3-methyl-1,5-bis(octadecylamino)-1,5-bis(oxidanylidene)pentan-3-yl] 2-phenylethanoate

Systemtic Name: [3-methyl-1,5-bis(octadecylamino)-1,5-bis(oxidanylidene)pentan-3-yl] 2-phenylethanoate Openeye Name: [1-methyl-3-(octadecylamino)-1-[2-(octadecylamino)-2-oxo-ethyl]-3-oxo-propyl] 2-phenylacetate CAS Name: 2-phenylacetic acid [3-methyl-1,5-bis(octadecylamino)-1,5-dioxopentan-3-yl] ester IUPAC Name: [3-methyl-1,5-bis(octadecylamino)-1,5-dioxopentan-3-yl] 2-phenylacetate Traditional Name: 2-phenylacetic acid [3-keto-1-[2-keto-2-(stearylamino)ethyl]-1-methyl-3-(stearylamino)propyl] ester Formula: C50H90N2O4 MolecularWeight: 783.2606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)CC(C)(CC(=O)NCCCCCCCCCCCCCCCCCC)OC(=O)CC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)CC(C)(CC(=O)NCCCCCCCCCCCCCCCCCC)OC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C50H90N2O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37-41-51-47(53)44-50(3,56-49(55)43-46-39-35-34-36-40-46)45-48(54)52-42-38-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h34-36,39-40H,4-33,37-38,41-45H2,1-3H3,(H,51,53)(H,52,54)