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

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (E)-3-(3-chloranyl-5-methoxy-4-propoxy-phenyl)prop-2-enoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] (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 [(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-5-methoxy-4-propoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-5-methoxy-4-propoxy-phenyl)acrylic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C19H25ClN2O6 MolecularWeight: 412.8646

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C=CC(=O)OC(C(C)C)C(=O)NC(=O)N)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN2O6/c1-5-8-27-17-13(20)9-12(10-14(17)26-4)6-7-15(23)28-16(11(2)3)18(24)22-19(21)25/h6-7,9-11,16H,5,8H2,1-4H3,(H3,21,22,24,25)/b7-6+/t16-/m1/s1