diethyl-[(1S)-1-phenyl-2-[2-[4-(phenylcarbonyl)phenoxy]ethanoylamino]ethyl]azanium

Systemtic Name: diethyl-[(1S)-1-phenyl-2-[2-[4-(phenylcarbonyl)phenoxy]ethanoylamino]ethyl]azanium Openeye Name: [(1S)-2-[[2-(4-benzoylphenoxy)acetyl]amino]-1-phenyl-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[[2-(4-benzoylphenoxy)-1-oxoethyl]amino]-1-phenylethyl]-diethylammonium IUPAC Name: [(1S)-2-[[2-(4-benzoylphenoxy)acetyl]amino]-1-phenylethyl]-diethylazanium Traditional Name: [(1S)-2-[[2-(4-benzoylphenoxy)acetyl]amino]-1-phenyl-ethyl]-diethyl-ammonium Formula: C27H31N2O3+ MolecularWeight: 431.54664

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H30N2O3/c1-3-29(4-2)25(21-11-7-5-8-12-21)19-28-26(30)20-32-24-17-15-23(16-18-24)27(31)22-13-9-6-10-14-22/h5-18,25H,3-4,19-20H2,1-2H3,(H,28,30)/p+1/t25-/m1/s1