methyl (2R,5R)-2-methyl-5-(phenylmethyl)-5-(pyridin-2-ylmethylcarbamoyl)-2H-pyrrole-1-carboxylate

Systemtic Name: methyl (2R,5R)-2-methyl-5-(phenylmethyl)-5-(pyridin-2-ylmethylcarbamoyl)-2H-pyrrole-1-carboxylate Openeye Name: methyl (2R,5R)-5-benzyl-2-methyl-5-(2-pyridylmethylcarbamoyl)-2H-pyrrole-1-carboxylate CAS Name: (2R,5R)-2-methyl-5-[oxo-(2-pyridinylmethylamino)methyl]-5-(phenylmethyl)-2H-pyrrole-1-carboxylic acid methyl ester IUPAC Name: methyl (2R,5R)-5-benzyl-2-methyl-5-(pyridin-2-ylmethylcarbamoyl)-2H-pyrrole-1-carboxylate Traditional Name: (2R,5R)-2-benzyl-5-methyl-2-(2-pyridylmethylcarbamoyl)-3-pyrroline-1-carboxylic acid methyl ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(N1C(=O)OC)(CC2=CC=CC=C2)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

C[C@@H]1C=C[C@](N1C(=O)OC)(CC2=CC=CC=C2)C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C21H23N3O3/c1-16-11-12-21(24(16)20(26)27-2,14-17-8-4-3-5-9-17)19(25)23-15-18-10-6-7-13-22-18/h3-13,16H,14-15H2,1-2H3,(H,23,25)/t16-,21+/m1/s1