diethyl (3R,4S)-3-[(E)-3-phenoxybut-1-enyl]-4-prop-2-enyl-cyclohexane-1,1-dicarboxylate

Systemtic Name: diethyl (3R,4S)-3-[(E)-3-phenoxybut-1-enyl]-4-prop-2-enyl-cyclohexane-1,1-dicarboxylate Openeye Name: diethyl (3R,4S)-4-allyl-3-[(E)-3-phenoxybut-1-enyl]cyclohexane-1,1-dicarboxylate CAS Name: (3R,4S)-3-[(E)-3-phenoxybut-1-enyl]-4-prop-2-enylcyclohexane-1,1-dicarboxylic acid diethyl ester IUPAC Name: diethyl (3R,4S)-3-[(E)-3-phenoxybut-1-enyl]-4-prop-2-enylcyclohexane-1,1-dicarboxylate Traditional Name: (3R,4S)-4-allyl-3-[(E)-3-phenoxybut-1-enyl]cyclohexane-1,1-dicarboxylic acid diethyl ester Formula: C25H34O5 MolecularWeight: 414.53446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC(C(C1)C=CC(C)OC2=CC=CC=C2)CC=C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CC[C@H]([C@@H](C1)/C=C/C(C)OC2=CC=CC=C2)CC=C)C(=O)OCC

InChI

InChI=1S/C25H34O5/c1-5-11-20-16-17-25(23(26)28-6-2,24(27)29-7-3)18-21(20)15-14-19(4)30-22-12-9-8-10-13-22/h5,8-10,12-15,19-21H,1,6-7,11,16-18H2,2-4H3/b15-14+/t19?,20-,21-/m1/s1