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

Systemtic Name: (2S)-3-(4-butoxy-3-chloranyl-5-methoxy-phenyl)-2-(4-methoxyphenyl)propanoic acid Openeye Name: (2S)-3-(4-butoxy-3-chloro-5-methoxy-phenyl)-2-(4-methoxyphenyl)propanoic acid CAS Name: (2S)-3-(4-butoxy-3-chloro-5-methoxyphenyl)-2-(4-methoxyphenyl)propanoic acid IUPAC Name: (2S)-3-(4-butoxy-3-chloro-5-methoxyphenyl)-2-(4-methoxyphenyl)propanoic acid Traditional Name: (2S)-3-(4-butoxy-3-chloro-5-methoxy-phenyl)-2-(4-methoxyphenyl)propionic acid Formula: C21H25ClO5 MolecularWeight: 392.8732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)CC(C2=CC=C(C=C2)OC)C(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)C[C@@H](C2=CC=C(C=C2)OC)C(=O)O)OC

InChI

InChI=1S/C21H25ClO5/c1-4-5-10-27-20-18(22)12-14(13-19(20)26-3)11-17(21(23)24)15-6-8-16(25-2)9-7-15/h6-9,12-13,17H,4-5,10-11H2,1-3H3,(H,23,24)/t17-/m0/s1