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

Systemtic Name: 2-diethylaminoethyl (2R,3S)-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: 2-diethylaminoethyl (2R,3S)-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (2R,3S)-2-phenyl-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl (2R,3S)-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (2R,3S)-2-phenyl-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid 2-diethylaminoethyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4/c1-3-22(4-2)14-15-24-21(23)20-19(16-10-6-5-7-11-16)25-17-12-8-9-13-18(17)26-20/h5-13,19-20H,3-4,14-15H2,1-2H3/t19-,20+/m1/s1