methyl (2S,4R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-(quinolin-2-ylcarbonylamino)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-(quinolin-2-ylcarbonylamino)pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-(quinoline-2-carbonylamino)pyrrolidine-2-carboxylate CAS Name: (2S,4R)-1-[(4-methoxy-3-methylphenyl)methyl]-4-[[oxo(2-quinolinyl)methyl]amino]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(quinoline-2-carbonylamino)pyrrolidine-2-carboxylate Traditional Name: (2S,4R)-1-(4-methoxy-3-methyl-benzyl)-4-(quinaldoylamino)pyrrolidine-2-carboxylic acid methyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CC(CC2C(=O)OC)NC(=O)C3=NC4=CC=CC=C4C=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN2C[C@@H](C[C@H]2C(=O)OC)NC(=O)C3=NC4=CC=CC=C4C=C3)OC

InChI

InChI=1S/C25H27N3O4/c1-16-12-17(8-11-23(16)31-2)14-28-15-19(13-22(28)25(30)32-3)26-24(29)21-10-9-18-6-4-5-7-20(18)27-21/h4-12,19,22H,13-15H2,1-3H3,(H,26,29)/t19-,22+/m1/s1