2-diethylaminoethyl 7-chloranyl-5-phenyl-2,3-dihydro-1,4-benzodioxepine-5-carboxylate

Systemtic Name: 2-diethylaminoethyl 7-chloranyl-5-phenyl-2,3-dihydro-1,4-benzodioxepine-5-carboxylate Openeye Name: 2-diethylaminoethyl 7-chloro-5-phenyl-2,3-dihydro-1,4-benzodioxepine-5-carboxylate CAS Name: 7-chloro-5-phenyl-2,3-dihydro-1,4-benzodioxepin-5-carboxylic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 7-chloro-5-phenyl-2,3-dihydro-1,4-benzodioxepine-5-carboxylate Traditional Name: 7-chloro-5-phenyl-2,3-dihydro-1,4-benzodioxepin-5-carboxylic acid 2-diethylaminoethyl ester Formula: C22H26ClNO4 MolecularWeight: 403.89914

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1(C2=C(C=CC(=C2)Cl)OCCO1)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCOC(=O)C1(C2=C(C=CC(=C2)Cl)OCCO1)C3=CC=CC=C3

InChI

InChI=1S/C22H26ClNO4/c1-3-24(4-2)12-13-27-21(25)22(17-8-6-5-7-9-17)19-16-18(23)10-11-20(19)26-14-15-28-22/h5-11,16H,3-4,12-15H2,1-2H3