(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic 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 (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)N[C@H](CC(=O)OCC1=CC2=C(C(=C1)Cl)OCCCO2)C3=CC=CC=C3

InChI

InChI=1S/C21H22ClNO5/c1-14(24)23-18(16-6-3-2-4-7-16)12-20(25)28-13-15-10-17(22)21-19(11-15)26-8-5-9-27-21/h2-4,6-7,10-11,18H,5,8-9,12-13H2,1H3,(H,23,24)/t18-/m1/s1