(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-[(3-methoxyphenyl)carbonylamino]ethanoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-[(3-methoxyphenyl)carbonylamino]ethanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-[(3-methoxybenzoyl)amino]acetate CAS Name: 2-[[(3-methoxyphenyl)-oxomethyl]amino]acetic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 2-[(3-methoxybenzoyl)amino]acetate Traditional Name: 2-(m-anisoylamino)acetic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C22H20N4O4 MolecularWeight: 404.4186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)CNC(=O)C2=CC(=CC=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)CNC(=O)C2=CC(=CC=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H20N4O4/c1-15-19(12-23)20(26(25-15)17-8-4-3-5-9-17)14-30-21(27)13-24-22(28)16-7-6-10-18(11-16)29-2/h3-11H,13-14H2,1-2H3,(H,24,28)