[(1R,5R,6R)-6-acetamido-3-ethoxycarbonyl-5-pentan-3-yloxy-cyclohex-3-en-1-yl] benzoate

Systemtic Name: [(1R,5R,6R)-6-acetamido-3-ethoxycarbonyl-5-pentan-3-yloxy-cyclohex-3-en-1-yl] benzoate Openeye Name: [(1R,5R,6R)-6-acetamido-3-ethoxycarbonyl-5-(1-ethylpropoxy)cyclohex-3-en-1-yl] benzoate CAS Name: benzoic acid [(1R,5R,6R)-6-acetamido-3-ethoxycarbonyl-5-pentan-3-yloxy-1-cyclohex-3-enyl] ester IUPAC Name: [(1R,5R,6R)-6-acetamido-3-ethoxycarbonyl-5-pentan-3-yloxycyclohex-3-en-1-yl] benzoate Traditional Name: benzoic acid [(1R,5R,6R)-6-acetamido-3-carbethoxy-5-(1-ethylpropoxy)cyclohex-3-en-1-yl] ester Formula: C23H31NO6 MolecularWeight: 417.49534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1NC(=O)C)OC(=O)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCC(CC)O[C@@H]1C=C(C[C@H]([C@H]1NC(=O)C)OC(=O)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C23H31NO6/c1-5-18(6-2)29-19-13-17(22(26)28-7-3)14-20(21(19)24-15(4)25)30-23(27)16-11-9-8-10-12-16/h8-13,18-21H,5-7,14H2,1-4H3,(H,24,25)/t19-,20-,21+/m1/s1