(2S)-3-(3-chloranyl-5-methoxy-4-pentoxy-phenyl)-2-phenyl-propanoic acid

Systemtic Name: (2S)-3-(3-chloranyl-5-methoxy-4-pentoxy-phenyl)-2-phenyl-propanoic acid Openeye Name: (2S)-3-(3-chloro-5-methoxy-4-pentoxy-phenyl)-2-phenyl-propanoic acid CAS Name: (2S)-3-(3-chloro-5-methoxy-4-pentoxyphenyl)-2-phenylpropanoic acid IUPAC Name: (2S)-3-(3-chloro-5-methoxy-4-pentoxyphenyl)-2-phenylpropanoic acid Traditional Name: (2S)-3-(4-amoxy-3-chloro-5-methoxy-phenyl)-2-phenyl-propionic acid Formula: C21H25ClO4 MolecularWeight: 376.8738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1Cl)CC(C2=CC=CC=C2)C(=O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClO4/c1-3-4-8-11-26-20-18(22)13-15(14-19(20)25-2)12-17(21(23)24)16-9-6-5-7-10-16/h5-7,9-10,13-14,17H,3-4,8,11-12H2,1-2H3,(H,23,24)/t17-/m0/s1