[(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] (E)-3-[3-chloranyl-5-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate

Systemtic Name: [(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] (E)-3-[3-chloranyl-5-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate Openeye Name: [(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl] (E)-3-(3-chloro-4-isobutoxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-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-[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-(3-chloro-4-isobutoxy-5-methoxy-phenyl)acrylic acid [(1R)-2-keto-1-methyl-2-pyrrolidino-ethyl] ester Formula: C21H28ClNO5 MolecularWeight: 409.90372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1Cl)C=CC(=O)OC(C)C(=O)N2CCCC2)OC

Isomeric SMILES

C[C@H](C(=O)N1CCCC1)OC(=O)/C=C/C2=CC(=C(C(=C2)Cl)OCC(C)C)OC

InChI

InChI=1S/C21H28ClNO5/c1-14(2)13-27-20-17(22)11-16(12-18(20)26-4)7-8-19(24)28-15(3)21(25)23-9-5-6-10-23/h7-8,11-12,14-15H,5-6,9-10,13H2,1-4H3/b8-7+/t15-/m1/s1