(2S)-2-(4-chloranylphenoxy)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide

Systemtic Name: (2S)-2-(4-chloranylphenoxy)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide Openeye Name: (2S)-2-(4-chlorophenoxy)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide CAS Name: (2S)-2-(4-chlorophenoxy)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide IUPAC Name: (2S)-2-(4-chlorophenoxy)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide Traditional Name: (2S)-2-(4-chlorophenoxy)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propionamide Formula: C18H18ClNO4 MolecularWeight: 347.79282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCCO2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCCCO2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClNO4/c1-12(24-15-6-3-13(19)4-7-15)18(21)20-14-5-8-16-17(11-14)23-10-2-9-22-16/h3-8,11-12H,2,9-10H2,1H3,(H,20,21)/t12-/m0/s1