methyl (2S,3S)-2-(4-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: methyl (2S,3S)-2-(4-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: methyl (2S,3S)-2-(4-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (2S,3S)-2-(4-ethylphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid methyl ester IUPAC Name: methyl (2S,3S)-2-(4-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (2S,3S)-2-(4-ethylphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid methyl ester Formula: C18H18O4 MolecularWeight: 298.33312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(OC3=CC=CC=C3O2)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H]2[C@H](OC3=CC=CC=C3O2)C(=O)OC

InChI

InChI=1S/C18H18O4/c1-3-12-8-10-13(11-9-12)16-17(18(19)20-2)22-15-7-5-4-6-14(15)21-16/h4-11,16-17H,3H2,1-2H3/t16-,17-/m0/s1