5-[[4-bromanyl-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl-phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[4-bromanyl-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl-phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]anilino]-5-oxo-pentanoic acid CAS Name: 5-[4-bromo-2-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]-oxomethyl]anilino]-5-oxopentanoic acid IUPAC Name: 5-[4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]anilino]-5-oxopentanoic acid Traditional Name: 5-[4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]anilino]-5-keto-valeric acid Formula: C19H25BrN2O4 MolecularWeight: 425.3168

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)CCCC(=O)O)C

Isomeric SMILES

C[C@@H]1C[C@@H](CN(C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)CCCC(=O)O)C

InChI

InChI=1S/C19H25BrN2O4/c1-12-8-13(2)11-22(10-12)19(26)15-9-14(20)6-7-16(15)21-17(23)4-3-5-18(24)25/h6-7,9,12-13H,3-5,8,10-11H2,1-2H3,(H,21,23)(H,24,25)/t12-,13+