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

Systemtic Name: methyl (2R)-2-[[3-(4-ethylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2R)-2-[[3-(4-ethylphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]-3-hydroxy-propanoate CAS Name: (2R)-2-[[[3-(4-ethylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[3-(4-ethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]-3-hydroxypropanoate Traditional Name: (2R)-2-[[3-(4-ethylphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC(CO)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2C(=O)N[C@H](CO)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4/c1-3-15-9-11-16(12-10-15)20-18(21(27)23-19(14-26)22(28)29-2)13-25(24-20)17-7-5-4-6-8-17/h4-13,19,26H,3,14H2,1-2H3,(H,23,27)/t19-/m1/s1