ethyl 6-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]propyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylate

Systemtic Name: ethyl 6-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]propyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylate Openeye Name: ethyl 6-[2-[(2-hydroxy-2-phenyl-ethyl)amino]propyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylate CAS Name: 6-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]-2,3-dihydro-1,4-benzodioxin-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylate Traditional Name: 6-[2-[(2-hydroxy-2-phenyl-ethyl)amino]propyl]-2,3-dihydro-1,4-benzodioxin-2-carboxylic acid ethyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1COC2=C(O1)C=CC(=C2)CC(C)NCC(C3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1COC2=C(O1)C=CC(=C2)CC(C)NCC(C3=CC=CC=C3)O

InChI

InChI=1S/C22H27NO5/c1-3-26-22(25)21-14-27-20-12-16(9-10-19(20)28-21)11-15(2)23-13-18(24)17-7-5-4-6-8-17/h4-10,12,15,18,21,23-24H,3,11,13-14H2,1-2H3