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

Systemtic Name: [(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3-chloranyl-5-methoxy-4-propoxy-phenyl)prop-2-enoate Openeye Name: [(1S)-2-(cyclopropylamino)-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-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclopropylamino)-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-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H24ClNO5 MolecularWeight: 381.85056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C=CC(=O)OC(C)C(=O)NC2CC2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=C/C(=O)O[C@@H](C)C(=O)NC2CC2)OC

InChI

InChI=1S/C19H24ClNO5/c1-4-9-25-18-15(20)10-13(11-16(18)24-3)5-8-17(22)26-12(2)19(23)21-14-6-7-14/h5,8,10-12,14H,4,6-7,9H2,1-3H3,(H,21,23)/b8-5+/t12-/m0/s1