(2S)-2-(2-chloranyl-4-propanoyl-6-propyl-phenoxy)-2-(4-propan-2-ylphenyl)ethanoic acid

Systemtic Name: (2S)-2-(2-chloranyl-4-propanoyl-6-propyl-phenoxy)-2-(4-propan-2-ylphenyl)ethanoic acid Openeye Name: (2S)-2-(2-chloro-4-propanoyl-6-propyl-phenoxy)-2-(4-isopropylphenyl)acetic acid CAS Name: (2S)-2-[2-chloro-4-(1-oxopropyl)-6-propylphenoxy]-2-(4-propan-2-ylphenyl)acetic acid IUPAC Name: (2S)-2-(2-chloro-4-propanoyl-6-propylphenoxy)-2-(4-propan-2-ylphenyl)acetic acid Traditional Name: (2S)-2-(2-chloro-4-propionyl-6-propyl-phenoxy)-2-p-cumenyl-acetic acid Formula: C23H27ClO4 MolecularWeight: 402.91108

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)C(=O)CC)Cl)OC(C2=CC=C(C=C2)C(C)C)C(=O)O

Isomeric SMILES

CCCC1=C(C(=CC(=C1)C(=O)CC)Cl)O[C@@H](C2=CC=C(C=C2)C(C)C)C(=O)O

InChI

InChI=1S/C23H27ClO4/c1-5-7-17-12-18(20(25)6-2)13-19(24)21(17)28-22(23(26)27)16-10-8-15(9-11-16)14(3)4/h8-14,22H,5-7H2,1-4H3,(H,26,27)/t22-/m0/s1