ethyl (2S)-2-[2-(dioctylamino)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[2-(dioctylamino)ethanoylamino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[[2-(dioctylamino)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-(dioctylamino)-1-oxoethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[2-(dioctylamino)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(dioctylamino)acetyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C29H50N2O3 MolecularWeight: 474.7189

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)CC(=O)NC(CC1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C29H50N2O3/c1-4-7-9-11-13-18-22-31(23-19-14-12-10-8-5-2)25-28(32)30-27(29(33)34-6-3)24-26-20-16-15-17-21-26/h15-17,20-21,27H,4-14,18-19,22-25H2,1-3H3,(H,30,32)/t27-/m0/s1