[(2R)-1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate

Systemtic Name: [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: [(1R)-2-[(2-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propenoic acid [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acrylic acid [(1R)-2-[(2-chlorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H22ClNO5 MolecularWeight: 415.86678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1Cl)OC(=O)C=CC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1Cl)OC(=O)/C=C/C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H22ClNO5/c1-15(22(26)24-14-17-5-2-3-6-18(17)23)29-21(25)10-8-16-7-9-19-20(13-16)28-12-4-11-27-19/h2-3,5-10,13,15H,4,11-12,14H2,1H3,(H,24,26)/b10-8+/t15-/m1/s1