ethyl 2,2-dimethyl-5-(3-phenoxyphenyl)pentanoate

Systemtic Name: ethyl 2,2-dimethyl-5-(3-phenoxyphenyl)pentanoate Openeye Name: ethyl 2,2-dimethyl-5-(3-phenoxyphenyl)pentanoate CAS Name: 2,2-dimethyl-5-(3-phenoxyphenyl)pentanoic acid ethyl ester IUPAC Name: ethyl 2,2-dimethyl-5-(3-phenoxyphenyl)pentanoate Traditional Name: 2,2-dimethyl-5-(3-phenoxyphenyl)valeric acid ethyl ester Formula: C21H26O3 MolecularWeight: 326.42934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCC1=CC(=CC=C1)OC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C)(C)CCCC1=CC(=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C21H26O3/c1-4-23-20(22)21(2,3)15-9-11-17-10-8-14-19(16-17)24-18-12-6-5-7-13-18/h5-8,10,12-14,16H,4,9,11,15H2,1-3H3