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

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (1-allophanoyl-2-methyl-propyl) (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (E)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C25H26N4O5 MolecularWeight: 462.49774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C=CC1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)/C=C/C1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C25H26N4O5/c1-16(2)23(24(31)27-25(26)32)34-21(30)14-11-18-15-29(19-7-5-4-6-8-19)28-22(18)17-9-12-20(33-3)13-10-17/h4-16,23H,1-3H3,(H3,26,27,31,32)/b14-11+