2-(2-diethylaminoethyloxy)ethyl (2S,3R)-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: 2-(2-diethylaminoethyloxy)ethyl (2S,3R)-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: 2-(2-diethylaminoethyloxy)ethyl (2S,3R)-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (2S,3R)-2-phenyl-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid 2-(2-diethylaminoethyloxy)ethyl ester IUPAC Name: 2-(2-diethylaminoethyloxy)ethyl (2S,3R)-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (2S,3R)-2-phenyl-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid 2-(2-diethylaminoethyloxy)ethyl ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOCCOC(=O)C1C(OC2=CC=CC=C2O1)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCOCCOC(=O)[C@H]1[C@@H](OC2=CC=CC=C2O1)C3=CC=CC=C3

InChI

InChI=1S/C23H29NO5/c1-3-24(4-2)14-15-26-16-17-27-23(25)22-21(18-10-6-5-7-11-18)28-19-12-8-9-13-20(19)29-22/h5-13,21-22H,3-4,14-17H2,1-2H3/t21-,22+/m0/s1