methyl 5-oxidanyl-2-[(2S)-2-phenylmethoxypent-4-enyl]-1,3-benzoxazole-4-carboxylate

Systemtic Name: methyl 5-oxidanyl-2-[(2S)-2-phenylmethoxypent-4-enyl]-1,3-benzoxazole-4-carboxylate Openeye Name: methyl 2-[(2S)-2-benzyloxypent-4-enyl]-5-hydroxy-1,3-benzoxazole-4-carboxylate CAS Name: 5-hydroxy-2-[(2S)-2-phenylmethoxypent-4-enyl]-1,3-benzoxazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-hydroxy-2-[(2S)-2-phenylmethoxypent-4-enyl]-1,3-benzoxazole-4-carboxylate Traditional Name: 2-[(2S)-2-benzoxypent-4-enyl]-5-hydroxy-1,3-benzoxazole-4-carboxylic acid methyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC2=C1N=C(O2)CC(CC=C)OCC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C1=C(C=CC2=C1N=C(O2)C[C@H](CC=C)OCC3=CC=CC=C3)O

InChI

InChI=1S/C21H21NO5/c1-3-7-15(26-13-14-8-5-4-6-9-14)12-18-22-20-17(27-18)11-10-16(23)19(20)21(24)25-2/h3-6,8-11,15,23H,1,7,12-13H2,2H3/t15-/m0/s1