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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)OC(C)C(=O)NC2CCCCCC2)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)O[C@@H](C)C(=O)NC2CCCCCC2)Cl)OC

InChI

InChI=1S/C22H30ClNO5/c1-4-28-19-14-16(13-18(23)21(19)27-3)11-12-20(25)29-15(2)22(26)24-17-9-7-5-6-8-10-17/h11-15,17H,4-10H2,1-3H3,(H,24,26)/b12-11+/t15-/m0/s1