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

Systemtic Name: methyl 4-[(E,4R)-4-methyl-5-oxidanyl-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoate Openeye Name: methyl 4-[(E,4R)-1-(benzyloxycarbonylamino)-5-hydroxy-4-methyl-pent-2-enyl]benzoate CAS Name: 4-[(E,4R)-5-hydroxy-4-methyl-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E,4R)-5-hydroxy-4-methyl-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoate Traditional Name: 4-[(E,4R)-1-(benzyloxycarbonylamino)-5-hydroxy-4-methyl-pent-2-enyl]benzoic acid methyl ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5/c1-16(14-24)8-13-20(18-9-11-19(12-10-18)21(25)27-2)23-22(26)28-15-17-6-4-3-5-7-17/h3-13,16,20,24H,14-15H2,1-2H3,(H,23,26)/b13-8+/t16-,20?/m1/s1