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

Systemtic Name: methyl (2S)-2-[2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]ethanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acetyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[2-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-1-oxoethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acetyl]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)CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

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