(2S)-3-(3-chloranyl-5-ethoxy-4-pentoxy-phenyl)-2-phenyl-propanoate

Systemtic Name: (2S)-3-(3-chloranyl-5-ethoxy-4-pentoxy-phenyl)-2-phenyl-propanoate Openeye Name: (2S)-3-(3-chloro-5-ethoxy-4-pentoxy-phenyl)-2-phenyl-propanoate CAS Name: (2S)-3-(3-chloro-5-ethoxy-4-pentoxyphenyl)-2-phenylpropanoate IUPAC Name: (2S)-3-(3-chloro-5-ethoxy-4-pentoxyphenyl)-2-phenylpropanoate Traditional Name: (2S)-3-(4-amoxy-3-chloro-5-ethoxy-phenyl)-2-phenyl-propionate Formula: C22H26ClO4- MolecularWeight: 389.89244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1Cl)CC(C2=CC=CC=C2)C(=O)[O-])OCC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1Cl)C[C@@H](C2=CC=CC=C2)C(=O)[O-])OCC

InChI

InChI=1S/C22H27ClO4/c1-3-5-9-12-27-21-19(23)14-16(15-20(21)26-4-2)13-18(22(24)25)17-10-7-6-8-11-17/h6-8,10-11,14-15,18H,3-5,9,12-13H2,1-2H3,(H,24,25)/p-1/t18-/m0/s1