2-diethylaminoethyl 5-phenyl-2,3-dihydro-1,4-benzodioxepine-5-carboxylate

Systemtic Name: 2-diethylaminoethyl 5-phenyl-2,3-dihydro-1,4-benzodioxepine-5-carboxylate Openeye Name: 2-diethylaminoethyl 5-phenyl-2,3-dihydro-1,4-benzodioxepine-5-carboxylate CAS Name: 5-phenyl-2,3-dihydro-1,4-benzodioxepin-5-carboxylic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 5-phenyl-2,3-dihydro-1,4-benzodioxepine-5-carboxylate Traditional Name: 5-phenyl-2,3-dihydro-1,4-benzodioxepin-5-carboxylic acid 2-diethylaminoethyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1(C2=CC=CC=C2OCCO1)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCOC(=O)C1(C2=CC=CC=C2OCCO1)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO4/c1-3-23(4-2)14-15-26-21(24)22(18-10-6-5-7-11-18)19-12-8-9-13-20(19)25-16-17-27-22/h5-13H,3-4,14-17H2,1-2H3