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

Systemtic Name: 4-[[4-bromanyl-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl-phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[4-bromo-2-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]-oxomethyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]anilino]-4-oxobutanoic acid Traditional Name: 4-[4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]anilino]-4-keto-butyric acid Formula: C18H23BrN2O4 MolecularWeight: 411.29022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN2O4/c1-11-7-12(2)10-21(9-11)18(25)14-8-13(19)3-4-15(14)20-16(22)5-6-17(23)24/h3-4,8,11-12H,5-7,9-10H2,1-2H3,(H,20,22)(H,23,24)/t11-,12+