dimethyl (5S,6S)-2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazole-5,6-dicarboxylate

Systemtic Name: dimethyl (5S,6S)-2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazole-5,6-dicarboxylate Openeye Name: dimethyl (5S,6S)-2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazole-5,6-dicarboxylate CAS Name: (5S,6S)-2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazole-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (5S,6S)-2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazole-5,6-dicarboxylate Traditional Name: (5S,6S)-2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazole-5,6-dicarboxylic acid dimethyl ester Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(CC1C(=O)OC)OC(=N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H]1CC2=C(C[C@@H]1C(=O)OC)OC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H17NO5/c1-21-16(19)11-8-13-14(9-12(11)17(20)22-2)23-15(18-13)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3/t11-,12-/m0/s1