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

Systemtic Name: methyl 4-[[4-bromanyl-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl-phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]anilino]-4-oxo-butanoate CAS Name: 4-[4-bromo-2-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]-oxomethyl]anilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]anilino]-4-oxobutanoate Traditional Name: 4-[4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]anilino]-4-keto-butyric acid methyl ester 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)CCC(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrN2O4/c1-12-8-13(2)11-22(10-12)19(25)15-9-14(20)4-5-16(15)21-17(23)6-7-18(24)26-3/h4-5,9,12-13H,6-8,10-11H2,1-3H3,(H,21,23)/t12-,13+