ethyl (2S)-2-ethyl-3-[(1S,2S)-2-oxidanylcyclohexyl]oxy-2-(phenylmethyl)but-3-enoate

Systemtic Name: ethyl (2S)-2-ethyl-3-[(1S,2S)-2-oxidanylcyclohexyl]oxy-2-(phenylmethyl)but-3-enoate Openeye Name: ethyl (2S)-2-benzyl-2-ethyl-3-[(1S,2S)-2-hydroxycyclohexoxy]but-3-enoate CAS Name: (2S)-2-ethyl-3-[(1S,2S)-2-hydroxycyclohexyl]oxy-2-(phenylmethyl)-3-butenoic acid ethyl ester IUPAC Name: ethyl (2S)-2-benzyl-2-ethyl-3-[(1S,2S)-2-hydroxycyclohexyl]oxybut-3-enoate Traditional Name: (2S)-2-benzyl-2-ethyl-3-[(1S,2S)-2-hydroxycyclohexoxy]but-3-enoic acid ethyl ester Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)(C(=C)OC2CCCCC2O)C(=O)OCC

Isomeric SMILES

CC[C@](CC1=CC=CC=C1)(C(=C)O[C@H]2CCCC[C@@H]2O)C(=O)OCC

InChI

InChI=1S/C21H30O4/c1-4-21(20(23)24-5-2,15-17-11-7-6-8-12-17)16(3)25-19-14-10-9-13-18(19)22/h6-8,11-12,18-19,22H,3-5,9-10,13-15H2,1-2H3/t18-,19-,21-/m0/s1