methyl (2S,5Z)-5-(2-methoxy-2-oxidanylidene-ethylidene)-2,6-dimethyl-1,2-dihydro-3-benzoxepine-8-carboxylate

Systemtic Name: methyl (2S,5Z)-5-(2-methoxy-2-oxidanylidene-ethylidene)-2,6-dimethyl-1,2-dihydro-3-benzoxepine-8-carboxylate Openeye Name: methyl (2S,5Z)-5-(2-methoxy-2-oxo-ethylidene)-2,6-dimethyl-1,2-dihydro-3-benzoxepine-8-carboxylate CAS Name: (2S,5Z)-5-(2-methoxy-2-oxoethylidene)-2,6-dimethyl-1,2-dihydro-3-benzoxepin-8-carboxylic acid methyl ester IUPAC Name: methyl (2S,5Z)-5-(2-methoxy-2-oxoethylidene)-2,6-dimethyl-1,2-dihydro-3-benzoxepine-8-carboxylate Traditional Name: (2S,5Z)-5-(2-keto-2-methoxy-ethylidene)-2,6-dimethyl-1,2-dihydro-3-benzoxepin-8-carboxylic acid methyl ester Formula: C17H20O5 MolecularWeight: 304.3377

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C(=CC(=C2)C(=O)OC)C)C(=CC(=O)OC)CO1

Isomeric SMILES

C[C@H]1CC2=C(C(=CC(=C2)C(=O)OC)C)/C(=C/C(=O)OC)/CO1

InChI

InChI=1S/C17H20O5/c1-10-5-13(17(19)21-4)7-12-6-11(2)22-9-14(16(10)12)8-15(18)20-3/h5,7-8,11H,6,9H2,1-4H3/b14-8+/t11-/m0/s1