methyl 4-[(E,4R)-2,4-dimethyl-5-oxidanyl-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoate

Systemtic Name: methyl 4-[(E,4R)-2,4-dimethyl-5-oxidanyl-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoate Openeye Name: methyl 4-[(E,4R)-1-(benzyloxycarbonylamino)-5-hydroxy-2,4-dimethyl-pent-2-enyl]benzoate CAS Name: 4-[(E,4R)-5-hydroxy-2,4-dimethyl-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E,4R)-5-hydroxy-2,4-dimethyl-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoate Traditional Name: 4-[(E,4R)-1-(benzyloxycarbonylamino)-5-hydroxy-2,4-dimethyl-pent-2-enyl]benzoic acid methyl ester Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C=C(C)C(C1=CC=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](CO)/C=C(\C)/C(C1=CC=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H27NO5/c1-16(14-25)13-17(2)21(19-9-11-20(12-10-19)22(26)28-3)24-23(27)29-15-18-7-5-4-6-8-18/h4-13,16,21,25H,14-15H2,1-3H3,(H,24,27)/b17-13+/t16-,21?/m1/s1