methyl (2S)-2-[(4-methoxy-1-phenyl-pyrazol-3-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(4-methoxy-1-phenyl-pyrazol-3-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(4-methoxy-1-phenyl-pyrazole-3-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(4-methoxy-1-phenyl-3-pyrazolyl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(4-methoxy-1-phenyl-pyrazole-3-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)NC(CC2=CC=CC=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

COC1=CN(N=C1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-27-18-14-24(16-11-7-4-8-12-16)23-19(18)20(25)22-17(21(26)28-2)13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1-2H3,(H,22,25)/t17-/m0/s1