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

Systemtic Name: ethyl (2R,3R)-2-cyano-3-[(2S,4R)-2-ethyl-2-methyl-oxan-4-yl]-3-(4-methylphenyl)propanoate Openeye Name: ethyl (2R,3R)-2-cyano-3-[(2S,4R)-2-ethyl-2-methyl-tetrahydropyran-4-yl]-3-(p-tolyl)propanoate CAS Name: (2R,3R)-2-cyano-3-[(2S,4R)-2-ethyl-2-methyl-4-oxanyl]-3-(4-methylphenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2R,3R)-2-cyano-3-[(2S,4R)-2-ethyl-2-methyloxan-4-yl]-3-(4-methylphenyl)propanoate Traditional Name: (2R,3R)-2-cyano-3-[(2S,4R)-2-ethyl-2-methyl-tetrahydropyran-4-yl]-3-(p-tolyl)propionic acid ethyl ester Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(CCO1)C(C2=CC=C(C=C2)C)C(C#N)C(=O)OCC)C

Isomeric SMILES

CC[C@]1(C[C@@H](CCO1)[C@@H](C2=CC=C(C=C2)C)[C@H](C#N)C(=O)OCC)C

InChI

InChI=1S/C21H29NO3/c1-5-21(4)13-17(11-12-25-21)19(16-9-7-15(3)8-10-16)18(14-22)20(23)24-6-2/h7-10,17-19H,5-6,11-13H2,1-4H3/t17-,18+,19-,21+/m1/s1