(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenyl-propanoate

Systemtic Name: (3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenyl-propanoate Openeye Name: (3S)-3-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-3-phenyl-propanoate CAS Name: (3S)-3-[(4R)-2,2-dimethyl-4-oxanyl]-3-phenylpropanoate IUPAC Name: (3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropanoate Traditional Name: (3S)-3-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-3-phenyl-propionate Formula: C16H21O3- MolecularWeight: 261.33614

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)C(CC(=O)[O-])C2=CC=CC=C2)C

Isomeric SMILES

CC1(C[C@@H](CCO1)[C@H](CC(=O)[O-])C2=CC=CC=C2)C

InChI

InChI=1S/C16H22O3/c1-16(2)11-13(8-9-19-16)14(10-15(17)18)12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3,(H,17,18)/p-1/t13-,14-/m1/s1