4-[4-[[(2R)-2-(4-chloranyl-2-methyl-phenoxy)propanoyl]amino]pyrazol-1-yl]butanoate

Systemtic Name: 4-[4-[[(2R)-2-(4-chloranyl-2-methyl-phenoxy)propanoyl]amino]pyrazol-1-yl]butanoate Openeye Name: 4-[4-[[(2R)-2-(4-chloro-2-methyl-phenoxy)propanoyl]amino]pyrazol-1-yl]butanoate CAS Name: 4-[4-[[(2R)-2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]-1-pyrazolyl]butanoate IUPAC Name: 4-[4-[[(2R)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]pyrazol-1-yl]butanoate Traditional Name: 4-[4-[[(2R)-2-(4-chloro-2-methyl-phenoxy)propanoyl]amino]pyrazol-1-yl]butyrate Formula: C17H19ClN3O4- MolecularWeight: 364.80346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC2=CN(N=C2)CCCC(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)O[C@H](C)C(=O)NC2=CN(N=C2)CCCC(=O)[O-]

InChI

InChI=1S/C17H20ClN3O4/c1-11-8-13(18)5-6-15(11)25-12(2)17(24)20-14-9-19-21(10-14)7-3-4-16(22)23/h5-6,8-10,12H,3-4,7H2,1-2H3,(H,20,24)(H,22,23)/p-1/t12-/m1/s1