[(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoate

Systemtic Name: [(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoate Openeye Name: [(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl] (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoate CAS Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propenoic acid [(2R)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoate Traditional Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acrylic acid [(1R)-2-keto-1-methyl-2-pyrrolidino-ethyl] ester Formula: C19H22ClNO5 MolecularWeight: 379.83468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)OC(=O)C=CC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

C[C@H](C(=O)N1CCCC1)OC(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C19H22ClNO5/c1-13(19(23)21-7-2-3-8-21)26-17(22)6-5-14-11-15(20)18-16(12-14)24-9-4-10-25-18/h5-6,11-13H,2-4,7-10H2,1H3/b6-5+/t13-/m1/s1