methyl (2S,5S)-7-methoxy-5,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepine-2-carboxylate

Systemtic Name: methyl (2S,5S)-7-methoxy-5,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepine-2-carboxylate Openeye Name: methyl (2S,5S)-7-methoxy-5,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepine-2-carboxylate CAS Name: (2S,5S)-7-methoxy-5,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl (2S,5S)-7-methoxy-5,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepine-2-carboxylate Traditional Name: (2S,5S)-7-methoxy-5,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-2-carboxylic acid methyl ester Formula: C15H20O4 MolecularWeight: 264.3169

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(OC2=CC(=C(C=C12)OC)C)C(=O)OC

Isomeric SMILES

C[C@H]1CC[C@H](OC2=CC(=C(C=C12)OC)C)C(=O)OC

InChI

InChI=1S/C15H20O4/c1-9-5-6-12(15(16)18-4)19-14-7-10(2)13(17-3)8-11(9)14/h7-9,12H,5-6H2,1-4H3/t9-,12-/m0/s1