methyl (3S)-2-(4-methylphenyl)-3-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]carbonyl-3,4-dihydropyrazole-5-carboxylate

Systemtic Name: methyl (3S)-2-(4-methylphenyl)-3-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]carbonyl-3,4-dihydropyrazole-5-carboxylate Openeye Name: methyl (3S)-3-[(2S)-2-benzyloxycarbonylpyrrolidine-1-carbonyl]-2-(p-tolyl)-3,4-dihydropyrazole-5-carboxylate CAS Name: (3S)-2-(4-methylphenyl)-3-[oxo-[(2S)-2-phenylmethoxycarbonyl-1-pyrrolidinyl]methyl]-3,4-dihydropyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl (3S)-2-(4-methylphenyl)-3-[(2S)-2-phenylmethoxycarbonylpyrrolidine-1-carbonyl]-3,4-dihydropyrazole-5-carboxylate Traditional Name: (5S)-5-[(2S)-2-carbobenzoxypyrrolidine-1-carbonyl]-1-(p-tolyl)-2-pyrazoline-3-carboxylic acid methyl ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(CC(=N2)C(=O)OC)C(=O)N3CCCC3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@@H](CC(=N2)C(=O)OC)C(=O)N3CCC[C@H]3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O5/c1-17-10-12-19(13-11-17)28-22(15-20(26-28)24(30)32-2)23(29)27-14-6-9-21(27)25(31)33-16-18-7-4-3-5-8-18/h3-5,7-8,10-13,21-22H,6,9,14-16H2,1-2H3/t21-,22-/m0/s1