N-(5-tert-butyl-2-methoxy-phenyl)-6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C21H24ClNO4/c1-21(2,3)14-6-7-17(25-4)16(12-14)23-20(24)13-10-15(22)19-18(11-13)26-8-5-9-27-19/h6-7,10-12H,5,8-9H2,1-4H3,(H,23,24)