3-[acetyloxy-[1-[4-(4-cyanophenyl)-2-methyl-4-oxidanylidene-butanoyl]piperidin-4-yl]oxy-methyl]piperidine-1-carboxylic acid

Systemtic Name: 3-[acetyloxy-[1-[4-(4-cyanophenyl)-2-methyl-4-oxidanylidene-butanoyl]piperidin-4-yl]oxy-methyl]piperidine-1-carboxylic acid Openeye Name: 3-[acetoxy-[[1-[4-(4-cyanophenyl)-2-methyl-4-oxo-butanoyl]-4-piperidyl]oxy]methyl]piperidine-1-carboxylic acid CAS Name: 3-[acetyloxy-[[1-[4-(4-cyanophenyl)-2-methyl-1,4-dioxobutyl]-4-piperidinyl]oxy]methyl]-1-piperidinecarboxylic acid IUPAC Name: 3-[acetyloxy-[1-[4-(4-cyanophenyl)-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxymethyl]piperidine-1-carboxylic acid Traditional Name: 3-[acetoxy-[[1-[4-(4-cyanophenyl)-4-keto-2-methyl-butanoyl]-4-piperidyl]oxy]methyl]piperidine-1-carboxylic acid Formula: C26H33N3O7 MolecularWeight: 499.55612

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=C(C=C1)C#N)C(=O)N2CCC(CC2)OC(C3CCCN(C3)C(=O)O)OC(=O)C

Isomeric SMILES

CC(CC(=O)C1=CC=C(C=C1)C#N)C(=O)N2CCC(CC2)OC(C3CCCN(C3)C(=O)O)OC(=O)C

InChI

InChI=1S/C26H33N3O7/c1-17(14-23(31)20-7-5-19(15-27)6-8-20)24(32)28-12-9-22(10-13-28)36-25(35-18(2)30)21-4-3-11-29(16-21)26(33)34/h5-8,17,21-22,25H,3-4,9-14,16H2,1-2H3,(H,33,34)