(3R)-3-[(2S,4S)-2-ethyl-2-methyl-oxan-4-yl]-3-(4-methylphenyl)propanoate

Systemtic Name: (3R)-3-[(2S,4S)-2-ethyl-2-methyl-oxan-4-yl]-3-(4-methylphenyl)propanoate Openeye Name: (3R)-3-[(2S,4S)-2-ethyl-2-methyl-tetrahydropyran-4-yl]-3-(p-tolyl)propanoate CAS Name: (3R)-3-[(2S,4S)-2-ethyl-2-methyl-4-oxanyl]-3-(4-methylphenyl)propanoate IUPAC Name: (3R)-3-[(2S,4S)-2-ethyl-2-methyloxan-4-yl]-3-(4-methylphenyl)propanoate Traditional Name: (3R)-3-[(2S,4S)-2-ethyl-2-methyl-tetrahydropyran-4-yl]-3-(p-tolyl)propionate Formula: C18H25O3- MolecularWeight: 289.3893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(CCO1)C(CC(=O)[O-])C2=CC=C(C=C2)C)C

Isomeric SMILES

CC[C@]1(C[C@H](CCO1)[C@@H](CC(=O)[O-])C2=CC=C(C=C2)C)C

InChI

InChI=1S/C18H26O3/c1-4-18(3)12-15(9-10-21-18)16(11-17(19)20)14-7-5-13(2)6-8-14/h5-8,15-16H,4,9-12H2,1-3H3,(H,19,20)/p-1/t15-,16-,18-/m0/s1