3-(5-chloranyl-2-ethyl-phenyl)-2-[[3-(2,2-dimethylpropoxy)phenyl]methyl]-3-oxidanylidene-propanoate

Systemtic Name: 3-(5-chloranyl-2-ethyl-phenyl)-2-[[3-(2,2-dimethylpropoxy)phenyl]methyl]-3-oxidanylidene-propanoate Openeye Name: 3-(5-chloro-2-ethyl-phenyl)-2-[[3-(2,2-dimethylpropoxy)phenyl]methyl]-3-oxo-propanoate CAS Name: 3-(5-chloro-2-ethylphenyl)-2-[[3-(2,2-dimethylpropoxy)phenyl]methyl]-3-oxopropanoate IUPAC Name: 3-(5-chloro-2-ethylphenyl)-2-[[3-(2,2-dimethylpropoxy)phenyl]methyl]-3-oxopropanoate Traditional Name: 3-(5-chloro-2-ethyl-phenyl)-3-keto-2-(3-neopentyloxybenzyl)propionate Formula: C23H26ClO4- MolecularWeight: 401.90314

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)Cl)C(=O)C(CC2=CC(=CC=C2)OCC(C)(C)C)C(=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)Cl)C(=O)C(CC2=CC(=CC=C2)OCC(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C23H27ClO4/c1-5-16-9-10-17(24)13-19(16)21(25)20(22(26)27)12-15-7-6-8-18(11-15)28-14-23(2,3)4/h6-11,13,20H,5,12,14H2,1-4H3,(H,26,27)/p-1