(1,3-diphenylpyrazol-4-yl)methyl (2S)-2-[(3-methylphenyl)carbonylamino]propanoate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl (2S)-2-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl (2S)-2-[(3-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl (2S)-2-[(3-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-toluoylamino)propionic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C)C(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C)C(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O3/c1-19-10-9-13-22(16-19)26(31)28-20(2)27(32)33-18-23-17-30(24-14-7-4-8-15-24)29-25(23)21-11-5-3-6-12-21/h3-17,20H,18H2,1-2H3,(H,28,31)/t20-/m0/s1