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

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-propenoic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)acrylic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H30ClNO5 MolecularWeight: 423.9303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C=CC(=O)OC(C)C(=O)N2CCCCCC2)OC

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)OC(=O)/C=C/C2=CC(=C(C(=C2)Cl)OC(C)C)OC

InChI

InChI=1S/C22H30ClNO5/c1-15(2)28-21-18(23)13-17(14-19(21)27-4)9-10-20(25)29-16(3)22(26)24-11-7-5-6-8-12-24/h9-10,13-16H,5-8,11-12H2,1-4H3/b10-9+/t16-/m1/s1