methyl (2S,4R)-1-(cyclohexylmethyl)-4-(quinolin-2-ylcarbonylamino)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4R)-1-(cyclohexylmethyl)-4-(quinolin-2-ylcarbonylamino)pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-1-(cyclohexylmethyl)-4-(quinoline-2-carbonylamino)pyrrolidine-2-carboxylate CAS Name: (2S,4R)-1-(cyclohexylmethyl)-4-[[oxo(2-quinolinyl)methyl]amino]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-(cyclohexylmethyl)-4-(quinoline-2-carbonylamino)pyrrolidine-2-carboxylate Traditional Name: (2S,4R)-1-(cyclohexylmethyl)-4-(quinaldoylamino)pyrrolidine-2-carboxylic acid methyl ester Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1CC2CCCCC2)NC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](CN1CC2CCCCC2)NC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H29N3O3/c1-29-23(28)21-13-18(15-26(21)14-16-7-3-2-4-8-16)24-22(27)20-12-11-17-9-5-6-10-19(17)25-20/h5-6,9-12,16,18,21H,2-4,7-8,13-15H2,1H3,(H,24,27)/t18-,21+/m1/s1