ethyl 3,5-dimethyl-1-[4-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-1-[4-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[[(1S)-1-benzyl-2-hydroxy-ethyl]carbamoyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-oxomethyl]phenyl]-3,5-dimethyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]phenyl]-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-[4-[[(1S)-1-benzyl-2-hydroxy-ethyl]carbamoyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylic acid ethyl ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)CO)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)N[C@@H](CC3=CC=CC=C3)CO)C

InChI

InChI=1S/C24H27N3O4/c1-4-31-24(30)22-16(2)26-27(17(22)3)21-12-10-19(11-13-21)23(29)25-20(15-28)14-18-8-6-5-7-9-18/h5-13,20,28H,4,14-15H2,1-3H3,(H,25,29)/t20-/m0/s1