(2S,3S)-2-[3-(3-phenylpropoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: (2S,3S)-2-[3-(3-phenylpropoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: (2S,3S)-2-[3-(3-phenylpropoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (2S,3S)-2-[3-(3-phenylpropoxy)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylate IUPAC Name: (2S,3S)-2-[3-(3-phenylpropoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (2S,3S)-2-[3-(3-phenylpropoxy)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylate Formula: C24H21O5- MolecularWeight: 389.42054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC2=CC=CC(=C2)C3C(OC4=CC=CC=C4O3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCOC2=CC=CC(=C2)[C@H]3[C@H](OC4=CC=CC=C4O3)C(=O)[O-]

InChI

InChI=1S/C24H22O5/c25-24(26)23-22(28-20-13-4-5-14-21(20)29-23)18-11-6-12-19(16-18)27-15-7-10-17-8-2-1-3-9-17/h1-6,8-9,11-14,16,22-23H,7,10,15H2,(H,25,26)/p-1/t22-,23-/m0/s1