(2S)-3-[2-[2-(diethylazaniumyl)ethoxy]naphthalen-1-yl]-2-phenyl-propanoate

Systemtic Name: (2S)-3-[2-[2-(diethylazaniumyl)ethoxy]naphthalen-1-yl]-2-phenyl-propanoate Openeye Name: (2S)-3-[2-[2-(diethylammonio)ethoxy]-1-naphthyl]-2-phenyl-propanoate CAS Name: (2S)-3-[2-[2-(diethylammonio)ethoxy]-1-naphthalenyl]-2-phenylpropanoate IUPAC Name: (2S)-3-[2-[2-(diethylazaniumyl)ethoxy]naphthalen-1-yl]-2-phenylpropanoate Traditional Name: (2S)-3-[2-[2-(diethylammonio)ethoxy]-1-naphthyl]-2-phenyl-propionate Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=C(C2=CC=CC=C2C=C1)CC(C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCOC1=C(C2=CC=CC=C2C=C1)C[C@@H](C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C25H29NO3/c1-3-26(4-2)16-17-29-24-15-14-20-12-8-9-13-21(20)23(24)18-22(25(27)28)19-10-6-5-7-11-19/h5-15,22H,3-4,16-18H2,1-2H3,(H,27,28)/t22-/m0/s1