(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-benzamido-3-methyl-butanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-benzamido-3-methyl-butanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-benzamido-3-methyl-butanoate CAS Name: 2-benzamido-3-methylbutanoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-benzamido-3-methylbutanoate Traditional Name: 2-benzamido-3-methyl-butyric acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C22H24ClNO5 MolecularWeight: 417.88266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC2=C(C(=C1)Cl)OCCCO2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC2=C(C(=C1)Cl)OCCCO2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24ClNO5/c1-14(2)19(24-21(25)16-7-4-3-5-8-16)22(26)29-13-15-11-17(23)20-18(12-15)27-9-6-10-28-20/h3-5,7-8,11-12,14,19H,6,9-10,13H2,1-2H3,(H,24,25)