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

Systemtic Name: 2-dimethylaminoethyl 7-chloranyl-5-phenyl-2,3-dihydro-1,4-benzodioxepine-5-carboxylate Openeye Name: 2-dimethylaminoethyl 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-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 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-dimethylaminoethyl ester Formula: C20H22ClNO4 MolecularWeight: 375.84598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO4/c1-22(2)10-11-25-19(23)20(15-6-4-3-5-7-15)17-14-16(21)8-9-18(17)24-12-13-26-20/h3-9,14H,10-13H2,1-2H3