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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-acetamido-3-(2-chlorophenyl)propanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-acetamido-3-(2-chlorophenyl)propanoate CAS Name: 3-acetamido-3-(2-chlorophenyl)propanoic 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 3-acetamido-3-(2-chlorophenyl)propanoate Traditional Name: 3-acetamido-3-(2-chlorophenyl)propionic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C21H21Cl2NO5 MolecularWeight: 438.30114

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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=C3Cl

Isomeric SMILES

CC(=O)NC(CC(=O)OCC1=CC2=C(C(=C1)Cl)OCCCO2)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H21Cl2NO5/c1-13(25)24-18(15-5-2-3-6-16(15)22)11-20(26)29-12-14-9-17(23)21-19(10-14)27-7-4-8-28-21/h2-3,5-6,9-10,18H,4,7-8,11-12H2,1H3,(H,24,25)