tert-butyl (2S,5R)-5-(6-methyl-2-oxidanylidene-oxan-3-yl)-1-(phenylmethyl)pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S,5R)-5-(6-methyl-2-oxidanylidene-oxan-3-yl)-1-(phenylmethyl)pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S,5R)-1-benzyl-5-(6-methyl-2-oxo-tetrahydropyran-3-yl)pyrrolidine-2-carboxylate CAS Name: (2S,5R)-5-(6-methyl-2-oxo-3-oxanyl)-1-(phenylmethyl)-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,5R)-1-benzyl-5-(6-methyl-2-oxooxan-3-yl)pyrrolidine-2-carboxylate Traditional Name: (2S,5R)-1-benzyl-5-(2-keto-6-methyl-tetrahydropyran-3-yl)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)O1)C2CCC(N2CC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1CCC(C(=O)O1)[C@H]2CC[C@H](N2CC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H31NO4/c1-15-10-11-17(20(24)26-15)18-12-13-19(21(25)27-22(2,3)4)23(18)14-16-8-6-5-7-9-16/h5-9,15,17-19H,10-14H2,1-4H3/t15?,17?,18-,19+/m1/s1