[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (E)-2-(4-chlorophenyl)-3-phenyl-prop-2-enoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (E)-2-(4-chlorophenyl)-3-phenyl-prop-2-enoate Openeye Name: (1-allophanoyl-2-methyl-propyl) (E)-2-(4-chlorophenyl)-3-phenyl-prop-2-enoate CAS Name: (E)-2-(4-chlorophenyl)-3-phenyl-2-propenoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate Traditional Name: (E)-2-(4-chlorophenyl)-3-phenyl-acrylic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C(=CC1=CC=CC=C1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)/C(=C/C1=CC=CC=C1)/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H21ClN2O4/c1-13(2)18(19(25)24-21(23)27)28-20(26)17(12-14-6-4-3-5-7-14)15-8-10-16(22)11-9-15/h3-13,18H,1-2H3,(H3,23,24,25,27)/b17-12+