methyl (2S,4S)-4-(2-cyclopentylethanoylamino)-1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(2-cyclopentylethanoylamino)-1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-4-[(2-cyclopentylacetyl)amino]-1-(4-quinolylmethyl)pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-[(2-cyclopentyl-1-oxoethyl)amino]-1-(4-quinolinylmethyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-[(2-cyclopentylacetyl)amino]-1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-[(2-cyclopentylacetyl)amino]-1-(4-quinolylmethyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1CC2=CC=NC3=CC=CC=C23)NC(=O)CC4CCCC4

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](CN1CC2=CC=NC3=CC=CC=C23)NC(=O)CC4CCCC4

InChI

InChI=1S/C23H29N3O3/c1-29-23(28)21-13-18(25-22(27)12-16-6-2-3-7-16)15-26(21)14-17-10-11-24-20-9-5-4-8-19(17)20/h4-5,8-11,16,18,21H,2-3,6-7,12-15H2,1H3,(H,25,27)/t18-,21-/m0/s1