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

Systemtic Name: methyl (2S)-2-[[1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazole-4-carbonyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[[1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrazolyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-[(2-chlorophenyl)methyl]-3-phenylpyrazole-4-carbonyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[1-(2-chlorobenzyl)-3-phenyl-pyrazole-4-carbonyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H20ClN3O4/c1-29-21(28)18(13-26)23-20(27)16-12-25(11-15-9-5-6-10-17(15)22)24-19(16)14-7-3-2-4-8-14/h2-10,12,18,26H,11,13H2,1H3,(H,23,27)/t18-/m0/s1