[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] (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 [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-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 [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C18H23ClN2O6 MolecularWeight: 398.83802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C=CC(=O)OC(C(C)C)C(=O)NC(=O)N)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN2O6/c1-5-26-16-12(19)8-11(9-13(16)25-4)6-7-14(22)27-15(10(2)3)17(23)21-18(20)24/h6-10,15H,5H2,1-4H3,(H3,20,21,23,24)/b7-6+/t15-/m1/s1