(2S,4S)-4-(4-bromanyl-2-methyl-phenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S)-4-(4-bromanyl-2-methyl-phenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-4-(4-bromo-2-methyl-phenoxy)-1-tert-butoxycarbonyl-pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-4-(4-bromo-2-methylphenoxy)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-4-(4-bromo-2-methylphenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-4-(4-bromo-2-methyl-phenoxy)-1-tert-butoxycarbonyl-proline Formula: C17H22BrNO5 MolecularWeight: 400.26428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OC2CC(N(C2)C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C17H22BrNO5/c1-10-7-11(18)5-6-14(10)23-12-8-13(15(20)21)19(9-12)16(22)24-17(2,3)4/h5-7,12-13H,8-9H2,1-4H3,(H,20,21)/t12-,13-/m0/s1