[(1S)-2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-propyl-1H-pyrazole-3-carboxylate

Systemtic Name: [(1S)-2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-propyl-1H-pyrazole-3-carboxylate Openeye Name: [(1S)-2-(3-chloro-4-methoxy-anilino)-2-oxo-1-phenyl-ethyl] 5-propyl-1H-pyrazole-3-carboxylate CAS Name: 5-propyl-1H-pyrazole-3-carboxylic acid [(1S)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 5-propyl-1H-pyrazole-3-carboxylate Traditional Name: 5-propyl-1H-pyrazole-3-carboxylic acid [(1S)-2-(3-chloro-4-methoxy-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NN1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CCCC1=CC(=NN1)C(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C22H22ClN3O4/c1-3-7-16-13-18(26-25-16)22(28)30-20(14-8-5-4-6-9-14)21(27)24-15-10-11-19(29-2)17(23)12-15/h4-6,8-13,20H,3,7H2,1-2H3,(H,24,27)(H,25,26)/t20-/m0/s1