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

Systemtic Name: methyl 4-[(E,4R)-4-methyl-5-oxidanyl-2-phenyl-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoate Openeye Name: methyl 4-[(E,4R)-1-(benzyloxycarbonylamino)-5-hydroxy-4-methyl-2-phenyl-pent-2-enyl]benzoate CAS Name: 4-[(E,4R)-5-hydroxy-4-methyl-2-phenyl-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E,4R)-5-hydroxy-4-methyl-2-phenyl-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoate Traditional Name: 4-[(E,4R)-1-(benzyloxycarbonylamino)-5-hydroxy-4-methyl-2-phenyl-pent-2-enyl]benzoic acid methyl ester Formula: C28H29NO5 MolecularWeight: 459.53356

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C=C(C1=CC=CC=C1)C(C2=CC=C(C=C2)C(=O)OC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](CO)/C=C(\C1=CC=CC=C1)/C(C2=CC=C(C=C2)C(=O)OC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H29NO5/c1-20(18-30)17-25(22-11-7-4-8-12-22)26(23-13-15-24(16-14-23)27(31)33-2)29-28(32)34-19-21-9-5-3-6-10-21/h3-17,20,26,30H,18-19H2,1-2H3,(H,29,32)/b25-17+/t20-,26?/m1/s1