(2S)-3-(3-bromanyl-4-butoxy-phenyl)-2-phenyl-propanoate

Systemtic Name: (2S)-3-(3-bromanyl-4-butoxy-phenyl)-2-phenyl-propanoate Openeye Name: (2S)-3-(3-bromo-4-butoxy-phenyl)-2-phenyl-propanoate CAS Name: (2S)-3-(3-bromo-4-butoxyphenyl)-2-phenylpropanoate IUPAC Name: (2S)-3-(3-bromo-4-butoxyphenyl)-2-phenylpropanoate Traditional Name: (2S)-3-(3-bromo-4-butoxy-phenyl)-2-phenyl-propionate Formula: C19H20BrO3- MolecularWeight: 376.2643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CC(C2=CC=CC=C2)C(=O)[O-])Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C[C@@H](C2=CC=CC=C2)C(=O)[O-])Br

InChI

InChI=1S/C19H21BrO3/c1-2-3-11-23-18-10-9-14(13-17(18)20)12-16(19(21)22)15-7-5-4-6-8-15/h4-10,13,16H,2-3,11-12H2,1H3,(H,21,22)/p-1/t16-/m0/s1