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

Systemtic Name: (3R)-3-acetamido-N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-phenyl-propanamide Openeye Name: (3R)-3-acetamido-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-phenyl-propanamide CAS Name: (3R)-3-acetamido-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-phenylpropanamide IUPAC Name: (3R)-3-acetamido-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-phenylpropanamide Traditional Name: (3R)-3-acetamido-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-phenyl-propionamide Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NCC1=CC2=C(C(=C1)Cl)OCCCO2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CC(=O)NCC1=CC2=C(C(=C1)Cl)OCCCO2)C3=CC=CC=C3

InChI

InChI=1S/C21H23ClN2O4/c1-14(25)24-18(16-6-3-2-4-7-16)12-20(26)23-13-15-10-17(22)21-19(11-15)27-8-5-9-28-21/h2-4,6-7,10-11,18H,5,8-9,12-13H2,1H3,(H,23,26)(H,24,25)/t18-/m1/s1