[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3-chloranyl-5-methoxy-4-propoxy-phenyl)prop-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C=CC(=O)OC(C)C(=O)NC2CCCCC2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=C/C(=O)O[C@@H](C)C(=O)NC2CCCCC2)OC

InChI

InChI=1S/C22H30ClNO5/c1-4-12-28-21-18(23)13-16(14-19(21)27-3)10-11-20(25)29-15(2)22(26)24-17-8-6-5-7-9-17/h10-11,13-15,17H,4-9,12H2,1-3H3,(H,24,26)/b11-10+/t15-/m0/s1