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

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] (E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-propenoic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)acrylic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H26ClNO5 MolecularWeight: 383.86644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C=CC(=O)OC(C)C(=O)NCC(C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)/C=C/C(=O)O[C@@H](C)C(=O)NCC(C)C)OC

InChI

InChI=1S/C19H26ClNO5/c1-6-25-18-15(20)9-14(10-16(18)24-5)7-8-17(22)26-13(4)19(23)21-11-12(2)3/h7-10,12-13H,6,11H2,1-5H3,(H,21,23)/b8-7+/t13-/m0/s1