3-oxidanylidenebutan-2-yl (E)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: 3-oxidanylidenebutan-2-yl (E)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (1-methyl-2-oxo-propyl) (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl (E)-3-(1-benzyl-3-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)acrylic acid (2-keto-1-methyl-propyl) ester Formula: C23H22N2O3 MolecularWeight: 374.43238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C=CC1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C)OC(=O)/C=C/C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O3/c1-17(26)18(2)28-22(27)14-13-21-16-25(15-19-9-5-3-6-10-19)24-23(21)20-11-7-4-8-12-20/h3-14,16,18H,15H2,1-2H3/b14-13+